Geometry & MOs

Info

ID:	154085
PubChem CID:	56313472
Reduced:	N3O3F4H17C22 (1)
Stoich.:	A3B3C4D17E22 (1)
Weight, g/mol:	422.229346
ΔH_f, kcal/mol:	-212.78
Dipole, Da:	1.33
IP(EA), eV:	-9.54(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NCC3=CC(=NC=C3)OCC(F)(F)F)F

DOS

IR

Vibrations