Geometry & MOs

Info

ID:	342956
PubChem CID:	127266119
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	16.2
Dipole, Da:	7.26
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-ethyl-2-(1-methyl-2-oxopyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCC(C1)C2=NC=NN2)SC3=CC=CC=C3

DOS

IR

Vibrations