Geometry & MOs

Info

ID:	251098
PubChem CID:	103101459
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	4.02
IP(EA), eV:	-8.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)phenyl]-3-[(2-amino-2-oxoethyl)-ethylamino]propanamide

Drug info:

PubChemData

Smile

CCN(CCC(=O)NC1=C(C=C(C=C1)OC)N)CC(=O)N

DOS

IR

Vibrations