Geometry & MOs

Info

ID:	380265
PubChem CID:	134970654
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	299.173273
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	1.94
IP(EA), eV:	-8.85(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-2-ethyl-4-methoxycarbonyloxy-3,4-dimethylheptanoate

Drug info:

PubChemData

Smile

CC(=C(C1C(O1)C2=CC=CC=C2)O)C

DOS

IR

Vibrations