Geometry & MOs

Info

ID:	396766
PubChem CID:	135029166
Reduced:	O6H23C28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-161.91
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125310
Charge, e:	0

Chem-info

IUPAC name:

phenyl 1-methylindazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H]2[C@H]3C([C@@H](C4=CC(=[OH+])C=C(C24)O)C5=C3C=C(C=C5O)O)C6=CC=C(C=C6)O)O

DOS

IR

Vibrations