Geometry & MOs

Info

ID:	276516
PubChem CID:	103824045
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	320.01604
ΔH_f, kcal/mol:	46.99
Dipole, Da:	2.04
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC2CCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations