Geometry & MOs

Info

ID:	430190
PubChem CID:	135170253
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	380.293997
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	9.2
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-N-propan-2-yl-8-(4-pyrrolidin-1-ylbutyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-amine

Drug info:

PubChemData

Smile

CNC(C1=CC=C(C=C1)C2=CC(=CC=C2)OC3=C(C=C(C=C3)C#N)S(=O)(=O)N)O

DOS

IR

Vibrations