Geometry & MOs

Info

ID:	136588
PubChem CID:	52068983
Reduced:	O2N3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-5.65
Dipole, Da:	2.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998273
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-2-(4-propan-2-yloxyphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=C(C=CC(=C4)C)C

DOS

IR

Vibrations