Geometry & MOs

Info

ID:	171948
PubChem CID:	75445001
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	510.181567
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	1.5
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(N=CO1)C(=O)NC2=CC=CC3=C2C(=O)NC3

DOS

IR

Vibrations