Geometry & MOs

Info

ID:	194653
PubChem CID:	78568261
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	3.76
Dipole, Da:	5.24
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2CCCC3=CC=CC=C23)C

DOS

IR

Vibrations