Geometry & MOs

Info

ID:	245429
PubChem CID:	99444680
Reduced:	BrNOS2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	30.97
Dipole, Da:	2.05
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[3-(methoxymethyl)phenyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(S2)Br

DOS

IR

Vibrations