Geometry & MOs

Info

ID:	152936
PubChem CID:	56312031
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-44.88
Dipole, Da:	6.7
IP(EA), eV:	-8.61(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)CC=C)C

DOS

IR

Vibrations