Geometry & MOs

Info

ID:	198452
PubChem CID:	79102434
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	5.5
IP(EA), eV:	-8.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(6-methoxypyridin-2-yl)methyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CN1CC(=O)NC2=CC=CC=C2Br)NC

DOS

IR

Vibrations