Geometry & MOs

Info

ID:	123447
PubChem CID:	50847767
Reduced:	ClON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	384.05857
ΔH_f, kcal/mol:	55.52
Dipole, Da:	2.17
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[4-(2-ethylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations