Geometry & MOs

Info

ID:

430945

PubChem CID:

135171015

Reduced:

ON3C25H31 (1)

Stoich.:

AB3C25D31 (1)

Weight, g/mol:

419.268511

ΔHf, kcal/mol:

5.47

Dipole, Da:

3.92

IP(EA), eV:

 -8.73(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(ethenylamino)-N-ethyl-5-methylidene-N-[(1S,3R)-3-[(3-methylidene-4-methyliminocyclohexa-1,5-dien-1-yl)methylamino]cyclohexyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N(C)CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations