Geometry & MOs

Info

ID:	131555
PubChem CID:	51226871
Reduced:	ClOSN4C13H13 (1)
Stoich.:	ABCD4E13F13 (1)
Weight, g/mol:	341.153955
ΔH_f, kcal/mol:	37.65
Dipole, Da:	2.68
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)CC3=C(SN=N3)Cl)C(=O)N

DOS

IR

Vibrations