Geometry & MOs

Info

ID:	216134
PubChem CID:	85085771
Reduced:	N3O4C9H17 (1)
Stoich.:	A3B4C9D17 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	3.88
IP(EA), eV:	-9.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethylbenzotriazol-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

COC1CC(OC(C1OC)OC)CN=[N+]=[N-]

DOS

IR

Vibrations