Geometry & MOs

Info

ID:	390989
PubChem CID:	135002060
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	4.95
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-[(S)-hydroxy(phenyl)methyl]cyclohex-2-en-1-yl] propan-2-yl carbonate

Drug info:

PubChemData

Smile

CC(C)C1(C2=CC=CC=C2C(=NC(C)(C)C)O1)OC3=CC=CC=C3

DOS

IR

Vibrations