Geometry & MOs

Info

ID:	310613
PubChem CID:	126583754
Reduced:	INC20H32 (1)
Stoich.:	ABC20D32 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	5.11
IP(EA), eV:	-9.53(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl 2-ethyl-2-methylbutanoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2(CCC(CC2)C3CCC(CC3)I)C#N

DOS

IR

Vibrations