Geometry & MOs

Info

ID:	200594
PubChem CID:	79415344
Reduced:	NOF3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-221.28
Dipole, Da:	5.34
IP(EA), eV:	-10.9(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(C#N)C1(CCC(CC1)C(F)(F)F)O

DOS

IR

Vibrations