Geometry & MOs

Info

ID:	361971
PubChem CID:	127304983
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	332.257612
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	2.87
IP(EA), eV:	-8.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=N2)C(=O)N3CCCC(C3)C(=O)NC)C4=CC=CC=C4

DOS

IR

Vibrations