Geometry & MOs

Info

ID:	79452
PubChem CID:	49754884
Reduced:	SN4O5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-168.14
Dipole, Da:	3.55
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[(1-cyanocyclopropanecarbonyl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)CNC(=O)C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4

DOS

IR

Vibrations