Geometry & MOs

Info

ID:	171806
PubChem CID:	75428265
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	1.9
IP(EA), eV:	-8.47(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[1-(2-methyl-3-nitrophenyl)ethylamino]-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CCC(COC)NC1CCN(CC1C)CC2=CC=CC=C2

DOS

IR

Vibrations