Geometry & MOs

Info

ID:	338725
PubChem CID:	127259736
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	286.110613
ΔH_f, kcal/mol:	41.34
Dipole, Da:	10.47
IP(EA), eV:	-8.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=C/[N+](=O)[O-]

DOS

IR

Vibrations