Geometry & MOs

Info

ID:	402453
PubChem CID:	135056015
Reduced:	NOH23C24 (1)
Stoich.:	ABC23D24 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	19.93
Dipole, Da:	3.89
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(S)-(4-tert-butylphenyl)-hydroxymethyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O)C

DOS

IR

Vibrations