Geometry & MOs

Info

ID:	159871
PubChem CID:	57288840
Reduced:	SN2O2C7H10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	276.139326
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	2.89
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS,12aR,13aR)-2-chloro-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine

Drug info:

PubChemData

Smile

CC(CN1C(=O)C=C(C=N1)O)S

DOS

IR

Vibrations