Geometry & MOs

Info

ID:	136589
PubChem CID:	52069158
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	401.106168
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	2.49
IP(EA), eV:	-7.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)OC(C)C)C

DOS

IR

Vibrations