Geometry & MOs

Info

ID:	251091
PubChem CID:	103101406
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-5.9
Dipole, Da:	5.84
IP(EA), eV:	-8.38(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-chlorophenyl)-3-[(2-amino-2-oxoethyl)-ethylamino]propanamide

Drug info:

PubChemData

Smile

CCN(CC1=NC2=C(N1)C=C(C=C2)N)CC(=O)N

DOS

IR

Vibrations