Geometry & MOs

Info

ID:	262207
PubChem CID:	103276941
Reduced:	BrNC17H24 (1)
Stoich.:	ABC17D24 (1)
Weight, g/mol:	318.07316
ΔH_f, kcal/mol:	5.19
Dipole, Da:	3.63
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CN[C@@H](C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations