Geometry & MOs

Info

ID:	88822
PubChem CID:	49957011
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	9.58
IP(EA), eV:	-8.87(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(4-phenylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations