Geometry & MOs

Info

ID:	175532
PubChem CID:	75918470
Reduced:	FON4C22H32 (1)
Stoich.:	ABC4D22E32 (1)
Weight, g/mol:	386.24819
ΔH_f, kcal/mol:	-36.09
Dipole, Da:	1.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753549
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C(C)C

DOS

IR

Vibrations