Geometry & MOs

Info

ID:	179075
PubChem CID:	76429882
Reduced:	Cl2O3N4C18H22 (1)
Stoich.:	A2B3C4D18E22 (1)
Weight, g/mol:	366.109483
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	5.0
IP(EA), eV:	-9.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-methylphenyl)-3-[3-(hydroxymethyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]urea

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)NC(C2=O)CCCCN

DOS

IR

Vibrations