Geometry & MOs

Info

ID:	430267
PubChem CID:	135170331
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	367.181526
ΔH_f, kcal/mol:	3.9
Dipole, Da:	1.93
IP(EA), eV:	-8.05(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-9-ethyl-8-(4-pyrrolidin-1-ylbutyl)benzo[h][1,6]naphthyridine

Drug info:

PubChemData

Smile

CCCNC1=NC2=C(C=C(C(=C2)CC)C)C3=C1CCC3

DOS

IR

Vibrations