Geometry & MOs

Info

ID:	172622
PubChem CID:	75531493
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	322.144806
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	7.06
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(COC)NCC1=CC(=CC=C1)OC2=CC=CC=C2.Br

DOS

IR

Vibrations