Geometry & MOs

Info

ID:	430136
PubChem CID:	135170197
Reduced:	SN2O3H18C26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	337.251798
ΔH_f, kcal/mol:	36.64
Dipole, Da:	4.6
IP(EA), eV:	-8.59(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-2,2,5-trimethyl-8-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-benzo[h][1,6]naphthyridine

Drug info:

PubChemData

Smile

C#CCNC(=O)C1=CC2=C(C=C1)C(=O)C3=C2NC4=CC=CC=C4SC3C5=CC(=CC=C5)O

DOS

IR

Vibrations