Geometry & MOs

Info

ID:	262208
PubChem CID:	103276993
Reduced:	BrN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	38.74
Dipole, Da:	5.89
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNC2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations