Geometry & MOs

Info

ID:	199222
PubChem CID:	79219049
Reduced:	Cl2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	293.246713
ΔH_f, kcal/mol:	32.27
Dipole, Da:	4.31
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4,6-diethyl-2-(3-methoxypropyl)pyrimidin-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)Cl)C)CCCN

DOS

IR

Vibrations