Geometry & MOs

Info

ID:	154837
PubChem CID:	56314377
Reduced:	OF3N7C18H24 (1)
Stoich.:	AB3C7D18E24 (1)
Weight, g/mol:	374.229346
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	3.21
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCN2CCN(CC2)C3=NC=CC=N3)C(F)(F)F

DOS

IR

Vibrations