Geometry & MOs

Info

ID:	270762
PubChem CID:	103638001
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	1.16
Dipole, Da:	3.49
IP(EA), eV:	-8.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=C(C=CS1)Br)C2CC2

DOS

IR

Vibrations