Geometry & MOs

Info

ID:	153572
PubChem CID:	56312822
Reduced:	F2O2N3H25C26 (1)
Stoich.:	A2B2C3D25E26 (1)
Weight, g/mol:	355.161995
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	6.68
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CC4=CC=C(C=C4)F

DOS

IR

Vibrations