Geometry & MOs

Info

ID:	120977
PubChem CID:	50752424
Reduced:	ClO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	366.088353
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	7.24
IP(EA), eV:	-8.84(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=O)N(N=C2)C(C)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations