Geometry & MOs

Info

ID:	166772
PubChem CID:	74732291
Reduced:	FN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	458.205301
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	11.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764242
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-[benzyl(methyl)amino]-2-oxoethyl] 3-O,5-O-diethyl 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)[O-]

DOS

IR

Vibrations