Geometry & MOs

Info

ID:	234521
PubChem CID:	92298604
Reduced:	N2O2H12C17 (1)
Stoich.:	A2B2C12D17 (1)
Weight, g/mol:	246.079313
ΔH_f, kcal/mol:	101.67
Dipole, Da:	4.74
IP(EA), eV:	-9.53(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1,3-benzoxazol-2-yl)-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C#N

DOS

IR

Vibrations