Geometry & MOs

Info

ID:	174098
PubChem CID:	75723929
Reduced:	ClO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	2.92
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=C(C=C1)C)C)N(C2=CC=CC=C2Cl)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations