Geometry & MOs

Info

ID:	430110
PubChem CID:	135170170
Reduced:	NC17H21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	343.181526
ΔH_f, kcal/mol:	4.56
Dipole, Da:	2.45
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-9-ethyl-3-methyl-8-(pyrrolidin-1-ylmethyl)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine

Drug info:

PubChemData

Smile

CCC1=CC2=C3CCCC3=C(N=C2C=C1CC)C

DOS

IR

Vibrations