Geometry & MOs

Info

ID:	308014
PubChem CID:	125311779
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	7.15
IP(EA), eV:	-8.88(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl]-2H-indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C[C@H]2C=C(N=NC2=O)C3=CC=C(C=C3)Cl)OC)OC

DOS

IR

Vibrations