Geometry & MOs

Info

ID:	289808
PubChem CID:	104374155
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	270.064057
ΔH_f, kcal/mol:	56.01
Dipole, Da:	5.67
IP(EA), eV:	-10.22(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxyphenyl)methoxy]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)COC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations