Geometry & MOs

Info

ID:	37906
PubChem CID:	8025450
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	2.69
IP(EA), eV:	-9.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]imino-3,3-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC[C@H](CO)N=C(C)CC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations