Geometry & MOs

Info

ID:	149709
PubChem CID:	53789384
Reduced:	PO7C10H15 (1)
Stoich.:	AB7C10D15 (1)
Weight, g/mol:	667.248957
ΔH_f, kcal/mol:	-304.14
Dipole, Da:	3.32
IP(EA), eV:	-10.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-methyl 3-O-propan-2-yl 6-cyano-4-[2-[4-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C=CC(=O)OCCOP(O)OCCOC(=O)C=C

DOS

IR

Vibrations