Geometry & MOs

Info

ID:	302687
PubChem CID:	124391989
Reduced:	BrN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	365.116427
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	7.48
IP(EA), eV:	-8.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)OC1=C(C=C(C=C1Br)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)O)OCC

DOS

IR

Vibrations