Geometry & MOs

Info

ID:	430692
PubChem CID:	135170758
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	406.207885
ΔH_f, kcal/mol:	-154.83
Dipole, Da:	2.62
IP(EA), eV:	-9.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[4-[3-(methylideneamino)-4-[(Z)-prop-1-enyl]phenyl]phenyl]sulfanylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC(N(C1=O)C)OC(=O)OC

DOS

IR

Vibrations