Geometry & MOs

Info

ID:	168890
PubChem CID:	75038191
Reduced:	ON6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	21.74
Dipole, Da:	2.07
IP(EA), eV:	-8.55(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(4-cyano-2-ethyl-1-sulfanylidene-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl)methanimidate

Drug info:

PubChemData

Smile

C1CC2C(=C(N(C(=O)N2C1)C3=CC=CC=C3)N)C(=NN)N

DOS

IR

Vibrations