Geometry & MOs

Info

ID:	395390
PubChem CID:	135025351
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	305.154155
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	1.1
IP(EA), eV:	-9.93(0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methoxy-2-[(3R)-6-methyl-1-phenylhept-6-en-1-yn-3-yl]phenol

Drug info:

PubChemData

Smile

CCC/C=C/C(CCCO)O

DOS

IR

Vibrations