Geometry & MOs

Info

ID:	258234
PubChem CID:	103152142
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	3.29
IP(EA), eV:	-7.98(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-methyl-N'-(2-pyridin-2-ylethyl)butane-1,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCC(CN)OC

DOS

IR

Vibrations