Geometry & MOs

Info

ID:	193976
PubChem CID:	78462695
Reduced:	N2O4H15C23 (1)
Stoich.:	A2B4C15D23 (1)
Weight, g/mol:	408.189651
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772256
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-(cyclohexylamino)-2-oxoethyl] 3-O,5-O-dimethyl 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)C[N+]4=NC(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations