Geometry & MOs

Info

ID:	391697
PubChem CID:	135008442
Reduced:	OH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	12.97
Dipole, Da:	2.73
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-methylhept-1-en-3-yl)benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C#CC2=CC(=CC=C2)O

DOS

IR

Vibrations