Geometry & MOs

Info

ID:	39889
PubChem CID:	8143146
Reduced:	ClON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	391.213401
ΔH_f, kcal/mol:	4.57
Dipole, Da:	8.4
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CC=C1Cl)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations