Geometry & MOs

Info

ID:	373859
PubChem CID:	131320723
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	188.108026
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	4.17
IP(EA), eV:	-10.06(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(2-chloroprop-2-enyl)-4-methylpiperidin-3-amine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(C(=O)C)Cl)[N+](=O)[O-]

DOS

IR

Vibrations