Geometry & MOs

Info

ID:	365087
PubChem CID:	127316829
Reduced:	OSN6C15H24 (1)
Stoich.:	ABC6D15E24 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	43.09
Dipole, Da:	7.48
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C(C)SC3=NN=NN3C4CC4

DOS

IR

Vibrations