Geometry & MOs

Info

ID:	279208
PubChem CID:	103842047
Reduced:	BrClNO2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	330.99747
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	5.33
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(CCOC)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations