Geometry & MOs

Info

ID:	81470
PubChem CID:	49854763
Reduced:	F3N3O4C18H18 (1)
Stoich.:	A3B3C4D18E18 (1)
Weight, g/mol:	457.095997
ΔH_f, kcal/mol:	-244.54
Dipole, Da:	10.14
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bis(3-chlorophenyl)methyl]-4-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-5,6-dione

Drug info:

PubChemData

Smile

COCCN1CN(N2C=CC(=O)C(=O)C2=C1O)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations