Geometry & MOs

Info

ID:	259702
PubChem CID:	103172304
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	306.113506
ΔH_f, kcal/mol:	-72.07
Dipole, Da:	1.82
IP(EA), eV:	-9.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[(3,4-dimethoxypyridin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CCCNCC1=NC=CC(=C1OC)OC

DOS

IR

Vibrations