Geometry & MOs

Info

ID:	276617
PubChem CID:	103824488
Reduced:	BrN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	2.6
IP(EA), eV:	-9.87(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br)C(=O)NC

DOS

IR

Vibrations