Geometry & MOs

Info

ID:	37645
PubChem CID:	8022767
Reduced:	ClO5H14C16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099636
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1H-indol-3-yl)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)[O-]

DOS

IR

Vibrations