Geometry & MOs

Info

ID:	268258
PubChem CID:	103598600
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	382.169271
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	4.94
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-(2-fluorophenyl)but-2-enoylamino]methyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)NC2=CC=CC(=C2)CNC(=O)C=CC3=CC=CC=N3

DOS

IR

Vibrations