Geometry & MOs

Info

ID:	435111
PubChem CID:	135180889
Reduced:	ClFO5N6C27H29 (2)
Stoich.:	ABC5D6E27F29 (2)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-290.8
Dipole, Da:	10.12
IP(EA), eV:	-8.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(3,5-dimethoxyphenyl)pyridine-4-carboxylate

Drug info:

Smile

COC1=CC(=C(C(=C1F)C2=NC(=C3C(=C2)C=NC(=N3)N[C@@H]4COC[C@@H]4NC(=O)C=C)N5CCOC(C5)CCOC6=C(C(=C(C(=C6)OC)Cl)C7=NC(=C8C(=C7)C=NC(=N8)N[C@@H]9COC[C@@H]9NC(=O)C=C)N1CCC(CC1)O)Cl)F)OC

DOS

IR

Vibrations