Geometry & MOs

Info

ID:	386812
PubChem CID:	134983013
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	126.104465
ΔH_f, kcal/mol:	35.51
Dipole, Da:	5.73
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3E,5E)-4-methylhepta-3,5-dien-2-ol

Drug info:

PubChemData

Smile

C=CC[C@@H](/C=C/C=C/C=O)NCC1=CC=CC=C1

DOS

IR

Vibrations