Geometry & MOs

Info

ID:	211699
PubChem CID:	81049858
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	1.76
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations