Geometry & MOs

Info

ID:	190748
PubChem CID:	78051830
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	3.06
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-methylpropyl)-6-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(CC(C(C2C(=O)OC)C(C)C)C3=CN=CC=C3)NN1

DOS

IR

Vibrations