Geometry & MOs

Info

ID:	152721
PubChem CID:	56311778
Reduced:	BrO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	444.197297
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	5.99
IP(EA), eV:	-9.25(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations