Geometry & MOs

Info

ID:	186063
PubChem CID:	77385714
Reduced:	O2C5H6 (3)
Stoich.:	A2B5C6 (3)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-229.73
Dipole, Da:	5.65
IP(EA), eV:	-9.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-diaminoanilino)-4-oxobutyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)CC(=O)C=CC2=CC=CC=C2O)O)O)O

DOS

IR

Vibrations