Geometry & MOs

Info

ID:	13289
PubChem CID:	224984
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	6.24
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-(2-nitrobut-1-enyl)benzene

Drug info:

PubChemData

Smile

CCC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations