Geometry & MOs

Info

ID:	194298
PubChem CID:	78512325
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-109.68
Dipole, Da:	7.36
IP(EA), eV:	-8.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1H-indol-3-yl)-2-[(3-methylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations