Geometry & MOs

Info

ID:	192802
PubChem CID:	78313368
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	416.125133
ΔH_f, kcal/mol:	-104.91
Dipole, Da:	4.31
IP(EA), eV:	-9.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methylphenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C(=O)C2=COC(=O)C3C2CCCC3

DOS

IR

Vibrations