Geometry & MOs

Info

ID:	178212
PubChem CID:	76295407
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	457.21139
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	4.81
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCNC(=O)C=CC2=CC=C(C=C2)OCC#N)C

DOS

IR

Vibrations