Geometry & MOs

Info

ID:	200746
PubChem CID:	79436672
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	322.100354
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	2.09
IP(EA), eV:	-8.36(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-3-(3-chloropyridin-4-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC2=C(C=CC(=C2)C)OC)CO

DOS

IR

Vibrations