Geometry & MOs

Info

ID:	260778
PubChem CID:	103203672
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	266.080376
ΔH_f, kcal/mol:	51.96
Dipole, Da:	9.88
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,4-benzotriazin-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations