Geometry & MOs

Info

ID:	81368
PubChem CID:	49854650
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	455.16452
ΔH_f, kcal/mol:	-187.81
Dipole, Da:	11.43
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-3-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-5,6-dione

Drug info:

PubChemData

Smile

COCCN1C[C@H](N2C=C(C(=O)C(=O)C2=C1O)C(=O)O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations