Geometry & MOs

Info

ID:	136602
PubChem CID:	52072015
Reduced:	O3N4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	492.23727
ΔH_f, kcal/mol:	-61.65
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036257
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)C[NH+]3CCC(CC3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations