Geometry & MOs

Info

ID:	206666
PubChem CID:	80279044
Reduced:	SN3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	-62.64
Dipole, Da:	2.26
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminophenyl)-3-(2-cyanoimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CSC1=NNC(=O)N1C2CC2

DOS

IR

Vibrations