Geometry & MOs

Info

ID:	194274
PubChem CID:	78507645
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	5.29
IP(EA), eV:	-9.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroanilino)-2-[2-(3-methylanilino)ethylazaniumyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations