Geometry & MOs

Info

ID:	370691
PubChem CID:	127339880
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	3.29
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylmethylsulfanyl)pyridin-3-yl]-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)N3CCC(CC3)C4=CC=NN4C

DOS

IR

Vibrations