Geometry & MOs

Info

ID:	347218
PubChem CID:	127271759
Reduced:	ON4C19H32 (1)
Stoich.:	AB4C19D32 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	5.85
IP(EA), eV:	-8.79(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3(CCCC3)N(C)C

DOS

IR

Vibrations