Geometry & MOs

Info

ID:	369472
PubChem CID:	127333962
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	7.9
Dipole, Da:	2.75
IP(EA), eV:	-8.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N,1-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)NC2=NNC(=C2)C3CCCCC3)NC

DOS

IR

Vibrations