Geometry & MOs

Info

ID:	340503
PubChem CID:	127262514
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	7.51
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutylmethyl 1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN/C(=C/2\C(=O)N=CN2)/O

DOS

IR

Vibrations