Geometry & MOs

Info

ID:	223979
PubChem CID:	85336535
Reduced:	OSN4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	414.222866
ΔH_f, kcal/mol:	88.53
Dipole, Da:	5.21
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[5-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]thiophen-3-yl]-3-ethylnona-4,6-dien-3-ol

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC(=CC=C2)C(=N)N)C(=O)C3=CC(=CS3)C=CC4=CC=CC=N4

DOS

IR

Vibrations