Geometry & MOs

Info

ID:	221362
PubChem CID:	85271402
Reduced:	PC68H108 (1)
Stoich.:	AB68C108 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	8.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942782
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol

Drug info:

PubChemData

Smile

CC=CCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations