Geometry & MOs

Info

ID:	293735
PubChem CID:	117398139
Reduced:	ClNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	257.118257
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	2.56
IP(EA), eV:	-8.19(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1Cl)OC)CCCCN)OC

DOS

IR

Vibrations