Geometry & MOs

Info

ID:	153670
PubChem CID:	56312960
Reduced:	Cl2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	408.213696
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	6.07
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)C(C)C2=C(ON=C2C)C

DOS

IR

Vibrations