Geometry & MOs

Info

ID:	279123
PubChem CID:	103841479
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	4.41
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations