Geometry & MOs

Info

ID:	355493
PubChem CID:	127288556
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	322.157581
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	0.99
IP(EA), eV:	-8.81(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN2CCCC2C1)NC(=O)C3CCCCC3

DOS

IR

Vibrations