Geometry & MOs

Info

ID:	67297
PubChem CID:	46506233
Reduced:	FN5O5C31H34 (1)
Stoich.:	AB5C5D31E34 (1)
Weight, g/mol:	568.193354
ΔH_f, kcal/mol:	-176.42
Dipole, Da:	10.91
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5F)OC

DOS

IR

Vibrations