Geometry & MOs

Info

ID:	178253
PubChem CID:	76304878
Reduced:	O4N5C26H39 (1)
Stoich.:	A4B5C26D39 (1)
Weight, g/mol:	477.208613
ΔH_f, kcal/mol:	-170.62
Dipole, Da:	8.32
IP(EA), eV:	-8.57(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1C2C(C(CC(N2)C(C)C)C(=O)N3CCN(CC3)CCC4=CC=C(C=C4)OC)C(=O)NC1=O

DOS

IR

Vibrations