Geometry & MOs

Info

ID:	349433
PubChem CID:	127275220
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	3.91
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-1-(2,6-dimethylphenyl)tetrazole

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCCC(CC2)C3=CC=CC=C3)N

DOS

IR

Vibrations