Geometry & MOs

Info

ID:	145982
PubChem CID:	53620932
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	12.48
Dipole, Da:	0.85
IP(EA), eV:	-8.34(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromoanilino)-2-oxoethyl]-propylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC=CC=C2)CC(CN3C=CC=N3)O

DOS

IR

Vibrations