Geometry & MOs

Info

ID:	123095
PubChem CID:	50832822
Reduced:	BrO3N5C21H30 (1)
Stoich.:	AB3C5D21E30 (1)
Weight, g/mol:	462.07028
ΔH_f, kcal/mol:	-114.97
Dipole, Da:	1.43
IP(EA), eV:	-8.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCNC(=O)CN2CCN(CC2=O)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations