Geometry & MOs

Info

ID:	162992
PubChem CID:	57581249
Reduced:	N2O7H30C31 (1)
Stoich.:	A2B7C30D31 (1)
Weight, g/mol:	487.189592
ΔH_f, kcal/mol:	-190.21
Dipole, Da:	5.18
IP(EA), eV:	-8.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(cyanomethyl)phenyl]-6-phenylpyridin-2-yl]-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)OCC(=O)O)OCC

DOS

IR

Vibrations