Geometry & MOs

Info

ID:	31267
PubChem CID:	855406
Reduced:	N3C7H14 (2)
Stoich.:	A3B7C14 (2)
Weight, g/mol:	308.23246
ΔH_f, kcal/mol:	45.72
Dipole, Da:	8.97
IP(EA), eV:	-8.87(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC

DOS

IR

Vibrations