Geometry & MOs

Info

ID:	207838
PubChem CID:	80458846
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	335.01571
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	7.6
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-2-phenylethyl)-4-methoxy-1-nitrobenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[N+](=O)[O-])N2CCC(CC2)CCN

DOS

IR

Vibrations