Geometry & MOs

Info

ID:	395385
PubChem CID:	135025344
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	213.036068
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	3.13
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-2-yl-1,2,4-benzotriazine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@@]3(C1=O)[C@](N=CO3)(C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations