Geometry & MOs

Info

ID:	196075
PubChem CID:	78775988
Reduced:	BrO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	3.26
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)CNC(=O)N

DOS

IR

Vibrations