Geometry & MOs

Info

ID:	194828
PubChem CID:	78594482
Reduced:	O2N4C20H21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	28.26
Dipole, Da:	17.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.163794
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C[NH+](CC1=NC(=O)C2C=CC=CC2=N1)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations