Geometry & MOs

Info

ID:	203170
PubChem CID:	79789735
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	3.71
IP(EA), eV:	-8.61(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)COC2=CN=C(C=C2)C=O

DOS

IR

Vibrations