Geometry & MOs

Info

ID:	126503
PubChem CID:	50966498
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	11.34
Dipole, Da:	5.32
IP(EA), eV:	-8.89(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-methoxypropan-2-yl)-N-(3-methylpyridin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CN2CCC=C(C2)CN3C(=CC=N3)NC(=O)C)C

DOS

IR

Vibrations