Geometry & MOs

Info

ID:	224720
PubChem CID:	85348787
Reduced:	ClNO2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	4.8
IP(EA), eV:	-9.67(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-5-phenylhepta-2,6-dien-1-ol

Drug info:

PubChemData

Smile

C1CC(C2CC(C(=O)N2C1)Cl)O

DOS

IR

Vibrations