Geometry & MOs

Info

ID:	340985
PubChem CID:	127263420
Reduced:	O8H22C27 (1)
Stoich.:	A8B22C27 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-243.04
Dipole, Da:	7.72
IP(EA), eV:	-10.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C([C@H](OC1=O)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations