Geometry & MOs

Info

ID:	299852
PubChem CID:	117695944
Reduced:	NOF3H9C11 (2)
Stoich.:	ABC3D9E11 (2)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-329.26
Dipole, Da:	7.79
IP(EA), eV:	-10.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-cyclopropyl-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C(C)(C)C(=O)C1=CC=C(C=C1)C#N)NC(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations