Geometry & MOs

Info

ID:	372709
PubChem CID:	131302955
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	238.123676
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	5.98
IP(EA), eV:	-9.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-4-methylpyridin-3-yl)-cyclohexylmethanamine

Drug info:

PubChemData

Smile

CC(C(C1=CCCCC1)[N+](=O)[O-])O

DOS

IR

Vibrations