Geometry & MOs

Info

ID:	68952
PubChem CID:	46513483
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	399.05824
ΔH_f, kcal/mol:	-20.94
Dipole, Da:	8.31
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCN2C(=O)C3=CC=C(C=C3)OCC4=CN5C=CC=CC5=N4

DOS

IR

Vibrations