Geometry & MOs

Info

ID:	88645
PubChem CID:	49955889
Reduced:	ClO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	257.142066
ΔH_f, kcal/mol:	116.69
Dipole, Da:	7.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

3-butoxy-N-(pyridin-4-ylmethyl)propan-1-amine;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNCC2=CC(=CC=C2)OC3=NN=NN3C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations