Geometry & MOs

Info

ID:	281704
PubChem CID:	103914243
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	285.128883
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	8.22
IP(EA), eV:	-9.7(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=CC(=CC(=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations