Geometry & MOs

Info

ID:	252129
PubChem CID:	103109338
Reduced:	ClF2O2N3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	1.89
IP(EA), eV:	-10.47(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methyl-N-[(2-methyl-3-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=C(C=C2)F)F)CCl

DOS

IR

Vibrations