Geometry & MOs

Info

ID:	175530
PubChem CID:	75918468
Reduced:	ClON4C23H32 (1)
Stoich.:	ABC4D23E32 (1)
Weight, g/mol:	414.218639
ΔH_f, kcal/mol:	25.22
Dipole, Da:	5.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753361
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CCCNC(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)C)Cl)C4CC4

DOS

IR

Vibrations