Geometry & MOs

Info

ID:	206736
PubChem CID:	80292445
Reduced:	ON5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	337.98369
ΔH_f, kcal/mol:	33.59
Dipole, Da:	2.49
IP(EA), eV:	-9.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-(2-carbamothioylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N2C=CN=C2CN)C(=O)N

DOS

IR

Vibrations