Geometry & MOs

Info

ID:	312051
PubChem CID:	126602159
Reduced:	N3O6C22H33 (1)
Stoich.:	A3B6C22D33 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-272.0
Dipole, Da:	4.06
IP(EA), eV:	-8.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyanilino)benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCOCC(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations