Geometry & MOs

Info

ID:	70968
PubChem CID:	48414118
Reduced:	O3N7C14H17 (1)
Stoich.:	A3B7C14D17 (1)
Weight, g/mol:	401.123022
ΔH_f, kcal/mol:	-57.13
Dipole, Da:	5.13
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations