Geometry & MOs

Info

ID:	183216
PubChem CID:	76993125
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-184.19
Dipole, Da:	2.45
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C(C)C(=O)O)C(=O)NC1=C(C=CC(=C1)C(=O)N)OC

DOS

IR

Vibrations