Geometry & MOs

Info

ID:	398208
PubChem CID:	135032314
Reduced:	F2N2O3H18C25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	424.178693
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	6.81
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[bis[(4-methylphenyl)methyl]amino]-3-cyano-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OC(=C2C#N)N(CC3=CC(=CC=C3)F)CC4=CC(=CC=C4)F

DOS

IR

Vibrations