Geometry & MOs

Info

ID:	280339
PubChem CID:	103848500
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	295.05718
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	4.28
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2,2-dimethylcyclopropyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N[C@H](C)C2=CC=CC=C2)Br

DOS

IR

Vibrations