Geometry & MOs

Info

ID:	251845
PubChem CID:	103107329
Reduced:	BrN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	270.15437
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	3.63
IP(EA), eV:	-9.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(difluoromethyl)phenyl]methylamino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(O2)Br)C3CC3

DOS

IR

Vibrations