Geometry & MOs

Info

ID:	406791
PubChem CID:	135078618
Reduced:	ClO5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-263.68
Dipole, Da:	3.56
IP(EA), eV:	-9.92(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(CC(CC(=O)OC)O)(CCl)OCC

DOS

IR

Vibrations