Geometry & MOs

Info

ID:	190747
PubChem CID:	78051829
Reduced:	ClN6O10C22H45 (1)
Stoich.:	AB6C10D22E45 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-511.89
Dipole, Da:	5.47
IP(EA), eV:	-9.55(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(CCN)O)N)N.Cl

DOS

IR

Vibrations