Geometry & MOs

Info

ID:	204198
PubChem CID:	79930052
Reduced:	BrNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	255.176919
ΔH_f, kcal/mol:	67.65
Dipole, Da:	2.65
IP(EA), eV:	-8.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanethioamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2=CC=CC(=C2)C#C)Br

DOS

IR

Vibrations