Geometry & MOs

Info

ID:	350910
PubChem CID:	127279198
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	2.13
IP(EA), eV:	-8.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1-cyclopropyltetrazole

Drug info:

PubChemData

Smile

C1CC(N(C1)CCN2C(=O)CNC2=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations