Geometry & MOs

Info

ID:	323157
PubChem CID:	126673084
Reduced:	ON2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	340.118985
ΔH_f, kcal/mol:	50.18
Dipole, Da:	6.99
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-acetamido-4-(2-amino-4-chlorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)N)C2=NN3C=CN=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations