Geometry & MOs

Info

ID:	225793
PubChem CID:	87226125
Reduced:	ClOSN3H20C22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	468.226037
ΔH_f, kcal/mol:	46.39
Dipole, Da:	2.58
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-6-[4-[2-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3,4,5-trimethoxycyclohexa-1,5-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NC4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations