Geometry & MOs

Info

ID:	336104
PubChem CID:	127255111
Reduced:	OSN8C16H16 (1)
Stoich.:	ABC8D16E16 (1)
Weight, g/mol:	641.278712
ΔH_f, kcal/mol:	122.17
Dipole, Da:	10.05
IP(EA), eV:	-9.42(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NCCC2=NN=C3N2C=CC=C3)N4C=NN=N4)C

DOS

IR

Vibrations