Geometry & MOs

Info

ID:	285771
PubChem CID:	104129857
Reduced:	BrSN3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	259.204848
ΔH_f, kcal/mol:	70.45
Dipole, Da:	2.69
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-6-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N(C)CC2=CC(=CS2)Br)CNC3CC3

DOS

IR

Vibrations