Geometry & MOs

Info

ID:	260769
PubChem CID:	103203145
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	39.56
Dipole, Da:	5.42
IP(EA), eV:	-8.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2=C(C(=CC=C2)Br)COC

DOS

IR

Vibrations