Geometry & MOs

Info

ID:	208963
PubChem CID:	80607837
Reduced:	SN6C10H12 (1)
Stoich.:	AB6C10D12 (1)
Weight, g/mol:	234.068766
ΔH_f, kcal/mol:	113.77
Dipole, Da:	6.23
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)CN2C=CN=C2C#N

DOS

IR

Vibrations