Geometry & MOs

Info

ID:	252160
PubChem CID:	103109509
Reduced:	F3N3O3C12H14 (1)
Stoich.:	A3B3C3D12E14 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-197.19
Dipole, Da:	4.51
IP(EA), eV:	-10.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CNCC(F)(F)F

DOS

IR

Vibrations