Geometry & MOs

Info

ID:	43433
PubChem CID:	10321288
Reduced:	NF3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	445.188923
ΔH_f, kcal/mol:	-249.97
Dipole, Da:	4.17
IP(EA), eV:	-9.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 5-O-prop-2-enyl 4-(3-benzoylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations