Geometry & MOs

Info

ID:	83994
PubChem CID:	49863106
Reduced:	ON6H12C17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	310.088434
ΔH_f, kcal/mol:	95.69
Dipole, Da:	9.88
IP(EA), eV:	-9.42(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations