Geometry & MOs

Info

ID:	123352
PubChem CID:	50843927
Reduced:	ClON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	422.144199
ΔH_f, kcal/mol:	41.18
Dipole, Da:	6.46
IP(EA), eV:	-8.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-(3,5-difluorobenzoyl)-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations