Geometry & MOs

Info

ID:	449779
PubChem CID:	135301383
Reduced:	N3O4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	7.34
IP(EA), eV:	-9.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3Z)-4,4-dimethyl-3-prop-2-enylidenecyclohexan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC(=O)C=N)NC(=O)C(C)N

DOS

IR

Vibrations