Geometry & MOs

Info

ID:	237031
PubChem CID:	92716951
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	381.266779
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	2.33
IP(EA), eV:	-8.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-6-methyl-3-(4-methylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol

Drug info:

PubChemData

Smile

CC[C@@](C1=CC=C(C=C1)C)([C@@H](CN2CCOCC2)C3=CC=CC=C3)O

DOS

IR

Vibrations