Geometry & MOs

Info

ID:	45384
PubChem CID:	10512454
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	207.148396
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	3.77
IP(EA), eV:	-9.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(5-methyltetrazol-1-yl)methyl]-1,2,3,5,6,7-hexahydropyrrolizine

Drug info:

PubChemData

Smile

CC1=NN(C(=O)O1)C2=CC=CC=C2OC

DOS

IR

Vibrations