Geometry & MOs

Info

ID:	323190
PubChem CID:	126673364
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	4.98
IP(EA), eV:	-8.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=C(C=C1)N2C(CC2=NC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations