Geometry & MOs

Info

ID:	157694
PubChem CID:	56436521
Reduced:	BrN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	1.04
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[2-(dimethylamino)pyridin-3-yl]methylamino]methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NCC3=CC4=C(C(=C3)Br)OCO4

DOS

IR

Vibrations