Geometry & MOs

Info

ID:	291734
PubChem CID:	113461145
Reduced:	FN3O4H8C11 (1)
Stoich.:	AB3C4D8E11 (1)
Weight, g/mol:	264.102941
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	7.71
IP(EA), eV:	-9.99(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1C(=O)O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations