Geometry & MOs

Info

ID:	305153
PubChem CID:	124766587
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	4.63
IP(EA), eV:	-9.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(CC2=C([C@H]([C@H]1C(=O)OC)C3=CN=CC=C3)C(=O)NN2)O

DOS

IR

Vibrations