Geometry & MOs

Info

ID:	128104
PubChem CID:	51031283
Reduced:	OH14C20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	128.62
Dipole, Da:	2.7
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]-(4-nitrophenyl)methanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C#C/C=C\C#CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations