Geometry & MOs

Info

ID:	253612
PubChem CID:	103119560
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	7.59
IP(EA), eV:	-9.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=C(N=NN2CCCOC)C(=O)O

DOS

IR

Vibrations