Geometry & MOs

Info

ID:	358329
PubChem CID:	127295874
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	3.61
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations