Geometry & MOs

Info

ID:	216526
PubChem CID:	85086368
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	277.042216
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	5.47
IP(EA), eV:	-9.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dicyano-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidoyl cyanide

Drug info:

PubChemData

Smile

C1C(C=C(C1CO)CO)N2C=NC3C2=NC(=NC3=O)N

DOS

IR

Vibrations