Geometry & MOs

Info

ID:	214132
PubChem CID:	81086990
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	268.176248
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	4.13
IP(EA), eV:	-9.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)C(=O)CC(C)CN

DOS

IR

Vibrations