Geometry & MOs

Info

ID:	47936
PubChem CID:	10535896
Reduced:	OSN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	26.36
Dipole, Da:	2.62
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3R)-3-[(1R)-1-hydroxypropyl]-4-methylidenecyclohexyl]ethanone

Drug info:

PubChemData

Smile

CCC1N=C(NO1)CC2=CC=CS2

DOS

IR

Vibrations