Geometry & MOs

Info

ID:

320282

PubChem CID:

126659232

Reduced:

N4H38C61 (1)

Stoich.:

A4B38C61 (1)

Weight, g/mol:

409.155018

ΔHf, kcal/mol:

322.3

Dipole, Da:

3.68

IP(EA), eV:

 -8.62(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methylimino-4-oxobutanoate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\C1=CC2=C(C=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)C5=CC6=C(C=C51)C7=CC=CC8=C(C=CC6=C87)C9=CC=C(C=C9)N1C2=CC=CC=C2N=C1C1=CC=CC=C1)/C#N

DOS

IR

Vibrations