Geometry & MOs

Info

ID:	167210
PubChem CID:	74793231
Reduced:	N2O4C24H33 (1)
Stoich.:	A2B4C24D33 (1)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754627
Charge, e:	0

Chem-info

IUPAC name:

N-[[7-[2-(4-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(COC1=CC=CC=C1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCOC

DOS

IR

Vibrations