Geometry & MOs

Info

ID:	151006
PubChem CID:	53790703
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	426.135778
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	8.29
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl 6-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-2-(fluoromethyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4CCCCC4)O

DOS

IR

Vibrations