Geometry & MOs

Info

ID:	43022
PubChem CID:	10317805
Reduced:	O2N3H21C24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	32.44
Dipole, Da:	5.34
IP(EA), eV:	-8.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1-benzyl-5-cyano-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations