Geometry & MOs

Info

ID:	153137
PubChem CID:	56312281
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	401.191483
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	3.88
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations