Geometry & MOs

Info

ID:	399667
PubChem CID:	135041588
Reduced:	N3O4C8H15 (1)
Stoich.:	A3B4C8D15 (1)
Weight, g/mol:	268.078268
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	3.4
IP(EA), eV:	-9.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-2-cyano-1-phenylethenyl]-N-methyl-1H-imidazole-2-carbothioamide

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](C[C@H](O1)OCCO)N=[N+]=[N-])O

DOS

IR

Vibrations