Geometry & MOs

Info

ID:	436781
PubChem CID:	135211421
Reduced:	N2O4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	7.35
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-[2-(3-methyl-1-benzofuran-2-yl)propan-2-yl]cyclohepta-1,4,6-triene-1-carbaldehyde

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(O1)C(C3=C(C2=O)C=CC(=C3)OCCN4CCN(CC4)C(=O)C)(C)C)C=C

DOS

IR

Vibrations