Geometry & MOs

Info

ID:	350915
PubChem CID:	127279203
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	2.44
IP(EA), eV:	-8.61(0.12)
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-(2,6-dimethylphenyl)tetrazole

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations