Geometry & MOs

Info

ID:	342808
PubChem CID:	127265971
Reduced:	FSN4O4C12H13 (1)
Stoich.:	ABC4D4E12F13 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	6.07
IP(EA), eV:	-9.5(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])F)S(=O)(=O)N(C)C2=NN(C=C2)C

DOS

IR

Vibrations