Geometry & MOs

Info

ID:	398749
PubChem CID:	135035201
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	2.78
IP(EA), eV:	-9.48(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=CC=C1C2CCCCCC2=O

DOS

IR

Vibrations