Geometry & MOs

Info

ID:	379510
PubChem CID:	134437902
Reduced:	ClIN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	379.175673
ΔH_f, kcal/mol:	86.55
Dipole, Da:	3.39
IP(EA), eV:	-9.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-3-oxo-3-[5-(1,2,4-triazol-1-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)I)N=C(C(=N2)C3=CC=CC=C3Cl)CN

DOS

IR

Vibrations