Geometry & MOs

Info

ID:	216260
PubChem CID:	85085960
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	50.77
Dipole, Da:	3.14
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-ethyl-4,4-dimethylpent-1-enyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CN1CCCN=C1C=CC2=CC=C(C=C2)SC

DOS

IR

Vibrations