Geometry & MOs

Info

ID:	396546
PubChem CID:	135028722
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	3.91
IP(EA), eV:	-9.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylindol-4-yl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=C1[C@H](C2=C(C1=O)N=CC=C2)O)C

DOS

IR

Vibrations