Geometry & MOs

Info

ID:	167142
PubChem CID:	74785692
Reduced:	N2O4C23H25 (1)
Stoich.:	A2B4C23D25 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	27.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.103843
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-methyl-7-(4-morpholin-4-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

DOS

IR

Vibrations