Geometry & MOs

Info

ID:	154726
PubChem CID:	56314240
Reduced:	FO2N3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	422.229346
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	6.33
IP(EA), eV:	-8.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations