Geometry & MOs

Info

ID:	147775
PubChem CID:	53787433
Reduced:	BrOC28H31 (1)
Stoich.:	ABC28D31 (1)
Weight, g/mol:	467.16925
ΔH_f, kcal/mol:	39.64
Dipole, Da:	1.14
IP(EA), eV:	-9.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(3-hydroxy-3-phenylpropyl)-2-methyl-3-nitro-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(C=CBr)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations