Geometry & MOs

Info

ID:	252157
PubChem CID:	103109458
Reduced:	ClF3N3O3C10H13 (1)
Stoich.:	AB3C3D3E10F13 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-247.5
Dipole, Da:	3.39
IP(EA), eV:	-10.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCOCC(F)(F)F)CCl

DOS

IR

Vibrations