Geometry & MOs

Info

ID:	190189
PubChem CID:	77964628
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	487.25834
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	8.42
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-(7-benzyl-5-cyclohex-2-en-1-yl-3,6-dioxo-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl)-1-methylurea

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2C(=O)CSC4=NC=CC=N4)CCC5=CC(=O)C=CC35C)O

DOS

IR

Vibrations