Geometry & MOs

Info

ID:	245375
PubChem CID:	99444049
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	382.131742
ΔH_f, kcal/mol:	9.17
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=C(C=C1)C#N)C(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

DOS

IR

Vibrations