Geometry & MOs

Info

ID:	335726
PubChem CID:	127254588
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	6.37
IP(EA), eV:	-8.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=CC(=O)C(=CN3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations