Geometry & MOs

Info

ID:	28615
PubChem CID:	828630
Reduced:	ClNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	4.22
IP(EA), eV:	-8.55(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methylcyclohexyl]piperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations