Geometry & MOs

Info

ID:	69198
PubChem CID:	46530411
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	454.174001
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	9.27
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dimethoxyphenyl)-3-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations