Geometry & MOs

Info

ID:	415723
PubChem CID:	135088723
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-27.88
Dipole, Da:	8.34
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C2CCCN2C(=O)C3=CN4CCC5=C4C(=CC=C5)C3=O

DOS

IR

Vibrations