Geometry & MOs

Info

ID:	370721
PubChem CID:	127339984
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	2.78
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylmethylsulfanyl)pyridin-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations