Geometry & MOs

Info

ID:	212445
PubChem CID:	81060558
Reduced:	SN4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	303.176919
ΔH_f, kcal/mol:	47.53
Dipole, Da:	5.81
IP(EA), eV:	-8.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations