Geometry & MOs

Info

ID:	200573
PubChem CID:	79411926
Reduced:	N3C14H25 (1)
Stoich.:	A3B14C25 (1)
Weight, g/mol:	249.220498
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	1.09
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCC1=NC=C(C(=N1)C)C(C)NCCC

DOS

IR

Vibrations