Geometry & MOs

Info

ID:	123580
PubChem CID:	50854902
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	9.21
IP(EA), eV:	-9.25(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/C(=O)NC2=O

DOS

IR

Vibrations