Geometry & MOs

Info

ID:	153039
PubChem CID:	56312155
Reduced:	N4O5C23H26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	401.191483
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	4.13
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations