Geometry & MOs

Info

ID:	281625
PubChem CID:	103914137
Reduced:	O2F3N3C9H16 (1)
Stoich.:	A2B3C3D9E16 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-269.94
Dipole, Da:	3.28
IP(EA), eV:	-9.52(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NCC(F)(F)F

DOS

IR

Vibrations