Geometry & MOs

Info

ID:	148298
PubChem CID:	53787960
Reduced:	C5H8 (4)
Stoich.:	A5B8 (4)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-29.55
Dipole, Da:	0.44
IP(EA), eV:	-8.71(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,6-dimethylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CC=CC1=CC=C(C=C1)C(C)C

DOS

IR

Vibrations