Geometry & MOs

Info

ID:	395575
PubChem CID:	135025872
Reduced:	BrNOH18C22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	396.15842
ΔH_f, kcal/mol:	35.19
Dipole, Da:	1.27
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-deuterio-3,7-diphenylhepta-1,6-diyn-3-yl)oxymethyl]-4-nitrobenzene

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Br)C(C1=O)(CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations