Geometry & MOs

Info

ID:	156146
PubChem CID:	56369322
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	434.177647
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	2.55
IP(EA), eV:	-8.67(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(=O)N(C)CC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations