Geometry & MOs

Info

ID:	392697
PubChem CID:	135017694
Reduced:	NO4H13C17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	6.13
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-hydroxy-1H-pyrrolo[3,4-b]quinolin-3-yl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N3CC=CC4=COC(=C43)C2=O

DOS

IR

Vibrations