Geometry & MOs

Info

ID:	54983
PubChem CID:	17389621
Reduced:	SN2O4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	173.095297
ΔH_f, kcal/mol:	-154.15
Dipole, Da:	7.56
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-isocyano-N,N-dimethyl-2-pyridin-4-ylethenamine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations