Geometry & MOs

Info

ID:	154951
PubChem CID:	56314507
Reduced:	FN3O4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	422.229346
ΔH_f, kcal/mol:	-168.12
Dipole, Da:	7.1
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-butylpiperidin-2-yl)methyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1CCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations