Geometry & MOs

Info

ID:	413859
PubChem CID:	135086810
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	525.08993
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	3.48
IP(EA), eV:	-8.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(7-bromo-5,8-dimethoxyquinoline-2-carbonyl)amino]-3-(1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C=C(N2)C(=O)NC(CO)C3=CC=CC=C3)OC

DOS

IR

Vibrations