Geometry & MOs

Info

ID:	28779
PubChem CID:	829579
Reduced:	OSN2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	2.7
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@]1([C@H]2N(CCN1)C(=O)CS2)C

DOS

IR

Vibrations