Geometry & MOs

Info

ID:	163880
PubChem CID:	74380605
Reduced:	OCl2N5C20H31 (1)
Stoich.:	AB2C5D20E31 (1)
Weight, g/mol:	427.255895
ΔH_f, kcal/mol:	-17.73
Dipole, Da:	1.7
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1C2CCC(CC2NN1)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations