Geometry & MOs

Info

ID:	309236
PubChem CID:	126540869
Reduced:	O2N7H27C28 (1)
Stoich.:	A2B7C27D28 (1)
Weight, g/mol:	294.085186
ΔH_f, kcal/mol:	66.6
Dipole, Da:	9.93
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(2-methoxy-2-oxoacetyl)amino]-4-methylanilino]-2-oxoacetate

Drug info:

PubChemData

Smile

CC#CC(=O)N1CCC(C1)N2C(=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)C(=O)NC5=NC=CC(=C5)C)C

DOS

IR

Vibrations