Geometry & MOs

Info

ID:	26621
PubChem CID:	793922
Reduced:	SN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	1.23
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations