Geometry & MOs

Info

ID:	365118
PubChem CID:	127316860
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	379.172976
ΔH_f, kcal/mol:	-107.94
Dipole, Da:	1.25
IP(EA), eV:	-8.69(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-oxopropan-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CN3CCCCCC3=O

DOS

IR

Vibrations