Geometry & MOs

Info

ID:	155975
PubChem CID:	56368553
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	3.8
IP(EA), eV:	-9.13(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CNC(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)C

DOS

IR

Vibrations