Geometry & MOs

Info

ID:	365086
PubChem CID:	127316828
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	336.173231
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	3.7
IP(EA), eV:	-8.67(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CCCCC3

DOS

IR

Vibrations