Geometry & MOs

Info

ID:	26540
PubChem CID:	652139
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-55.89
Dipole, Da:	4.27
IP(EA), eV:	-9.12(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-imidazol-1-ylpropylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)C2=C(N3CCC4=C3C(=CC=C4)C2=O)O

DOS

IR

Vibrations