Geometry & MOs

Info

ID:	54207
PubChem CID:	15047385
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	4.94
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-2-benzyl-N,N-dimethyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CCS(=O)(=O)C1CCN(CC=C)CC=C

DOS

IR

Vibrations