Geometry & MOs

Info

ID:	26360
PubChem CID:	645372
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	263.079373
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	3.21
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2C3CCC2CC(C3)(C4=CC=C(C=C4)OC)O)C

DOS

IR

Vibrations