Geometry & MOs

Info

ID:	153032
PubChem CID:	56312148
Reduced:	BrFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-95.84
Dipole, Da:	3.95
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations