Geometry & MOs

Info

ID:	38483
PubChem CID:	8135951
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	1.67
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations