Geometry & MOs

Info

ID:	398207
PubChem CID:	135032313
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	432.128549
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	8.05
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=C(C3=C(O2)C=CC(=C3)C(=O)OC)C#N

DOS

IR

Vibrations