Geometry & MOs

Info

ID:	30094
PubChem CID:	839878
Reduced:	N6C9H10 (1)
Stoich.:	A6B9C10 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	134.34
Dipole, Da:	7.98
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzyl-6-methyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NN2C(=NN=N2)N

DOS

IR

Vibrations