Geometry & MOs

Info

ID:	122801
PubChem CID:	50822146
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	428.10994
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	3.22
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations