Geometry & MOs

Info

ID:	401636
PubChem CID:	135051929
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	2.91
IP(EA), eV:	-10.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-6-methylbenzotriazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C12CC3CC(C1)CC(C3)C2)/[O-])/[N+]#N

DOS

IR

Vibrations