Geometry & MOs

Info

ID:	394367
PubChem CID:	135022852
Reduced:	INC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	55.12
Dipole, Da:	0.96
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-methyl-2-(2-oxo-1-phenylpropyl)propanedioate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=CC(=C2N(C)C)I

DOS

IR

Vibrations