Geometry & MOs

Info

ID:	347216
PubChem CID:	127271757
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-3.28
Dipole, Da:	6.8
IP(EA), eV:	-8.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3=CN=C(C=C3)N4CCCCC4

DOS

IR

Vibrations