Geometry & MOs

Info

ID:	212135
PubChem CID:	81059584
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	4.55
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=C2C=C(C=CC2=NC=C1N)Br

DOS

IR

Vibrations