Geometry & MOs

Info

ID:	165789
PubChem CID:	74598483
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-74.78
Dipole, Da:	3.09
IP(EA), eV:	-8.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C

DOS

IR

Vibrations