Geometry & MOs

Info

ID:	268384
PubChem CID:	103599190
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	32.51
Dipole, Da:	2.26
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations