Geometry & MOs

Info

ID:	181802
PubChem CID:	76794409
Reduced:	BrO3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-74.28
Dipole, Da:	7.76
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-5-methyl-8-(pyrrolidine-1-carbonyl)-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)CC4CCCC4C(=O)O)Br

DOS

IR

Vibrations