Geometry & MOs

Info

ID:	204672
PubChem CID:	79996050
Reduced:	BrFC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	3.91
IP(EA), eV:	-9.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(CC4=CC=C(C=C4)F)Br

DOS

IR

Vibrations