Geometry & MOs

Info

ID:	250460
PubChem CID:	103096805
Reduced:	ON2F4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	325.0062
ΔH_f, kcal/mol:	-195.95
Dipole, Da:	4.91
IP(EA), eV:	-9.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-nitrophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNCC2=CC(=CC(=C2)F)C(F)(F)F

DOS

IR

Vibrations