Geometry & MOs

Info

ID:	365127
PubChem CID:	127316884
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	3.9
IP(EA), eV:	-8.67(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CNC(=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations