Geometry & MOs

Info

ID:	203743
PubChem CID:	79863425
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	4.7
IP(EA), eV:	-9.31(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCCC1(CC(=O)O)NC)C

DOS

IR

Vibrations