Geometry & MOs

Info

ID:	264646
PubChem CID:	103479431
Reduced:	BrClON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	274.97125
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	3.51
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-chlorophenyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations