Geometry & MOs

Info

ID:	84689
PubChem CID:	49869313
Reduced:	N4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	358.04292
ΔH_f, kcal/mol:	161.12
Dipole, Da:	2.44
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-2-(3-bromophenyl)-5-methylimidazol-2-yl]-3-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC#CC1=CC(=CN=C1)C2=CC(=CC=C2)C3(N=C(C(=N3)N)C)C4CC4

DOS

IR

Vibrations