Geometry & MOs

Info

ID:	238195
PubChem CID:	92729780
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	4.81
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(O2)C3=CC(=CC=C3)NC(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations