Geometry & MOs

Info

ID:	413111
PubChem CID:	135086055
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	412.152203
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	4.89
IP(EA), eV:	-9.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis(3,4,5-trimethoxyphenyl)penta-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations