Geometry & MOs

Info

ID:	277085
PubChem CID:	103826649
Reduced:	BrClNO3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	-118.58
Dipole, Da:	3.56
IP(EA), eV:	-9.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations