Geometry & MOs

Info

ID:	365221
PubChem CID:	127317069
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	20.65
Dipole, Da:	4.25
IP(EA), eV:	-8.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CC4CCCN4CC3C

DOS

IR

Vibrations