Geometry & MOs

Info

ID:	74170
PubChem CID:	48421542
Reduced:	ClO3N5C19H28 (1)
Stoich.:	AB3C5D19E28 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	9.79
IP(EA), eV:	-8.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-2-oxochromen-7-yl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations