Geometry & MOs

Info

ID:	56594
PubChem CID:	17487144
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	469.21139
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	6.41
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyano-N-[2-(cyclohexen-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations