Geometry & MOs

Info

ID:	265156
PubChem CID:	103512271
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	2.81
IP(EA), eV:	-9.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-aminopropyl)phenyl]-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1COC(CN1C(=O)C2=CN=CN2C)CN

DOS

IR

Vibrations