Geometry & MOs

Info

ID:	31419
PubChem CID:	855696
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	20.5
Dipole, Da:	9.07
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3CCCC3)C#N

DOS

IR

Vibrations