Geometry & MOs

Info

ID:	252761
PubChem CID:	103113935
Reduced:	BrON5C11H18 (1)
Stoich.:	ABC5D11E18 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	4.34
IP(EA), eV:	-8.89(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-[[2-(propylamino)pyridin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC(=NC=C1Br)NC

DOS

IR

Vibrations