Geometry & MOs

Info

ID:	136600
PubChem CID:	52071854
Reduced:	N4O5C30H36 (1)
Stoich.:	A4B5C30D36 (1)
Weight, g/mol:	454.294391
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	2.68
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butylpiperazin-1-yl)-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2OC)CN3CCC(CC3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations