Geometry & MOs

Info

ID:	39890
PubChem CID:	8143147
Reduced:	O2N4C23H27 (1)
Stoich.:	A2B4C23D27 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	9.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755979
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations