Geometry & MOs

Info

ID:	391988
PubChem CID:	135011677
Reduced:	NPO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-197.63
Dipole, Da:	1.67
IP(EA), eV:	-9.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-2-phenylpentan-1-ol

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)ON=C(CC1=CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations