Geometry & MOs

Info

ID:	265095
PubChem CID:	103510059
Reduced:	S2N3O3C11H17 (1)
Stoich.:	A2B3C3D11E17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-114.75
Dipole, Da:	6.65
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopropyl)-3-methyl-N-(4-methylphenyl)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(SC(=C1N)C(=O)NC)NCC=C

DOS

IR

Vibrations