Geometry & MOs

Info

ID:	206739
PubChem CID:	80292448
Reduced:	OSN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	210.97451
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	3.62
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoprop-2-enyl)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C=CN=C2C(=S)N

DOS

IR

Vibrations