Geometry & MOs

Info

ID:	285959
PubChem CID:	104141976
Reduced:	ClN2O2C16H27 (1)
Stoich.:	AB2C2D16E27 (1)
Weight, g/mol:	314.176106
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	2.76
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-propan-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)CCl)N(CCCOC)CCOC

DOS

IR

Vibrations