Geometry & MOs

Info

ID:	218023
PubChem CID:	85088760
Reduced:	ClO4N5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	421.166938
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	2.39
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3aH-benzimidazol-2-yl)-6-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC3(C2)NC4=C5C(=NC(=N4)Cl)N(C=N5)C6C(C(C(O6)CO)O)O

DOS

IR

Vibrations