Geometry & MOs

Info

ID:	31948
PubChem CID:	3724309
Reduced:	ON6C23H24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	87.5
Dipole, Da:	3.5
IP(EA), eV:	-9.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C3=NN=NN23)CN(CC4=CN=CC=C4)C(=O)C5CCC5)C

DOS

IR

Vibrations