Geometry & MOs

Info

ID:	153243
PubChem CID:	56312406
Reduced:	O2N3C29H33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	431.202048
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	6.76
IP(EA), eV:	-8.97(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations