Geometry & MOs

Info

ID:	360281
PubChem CID:	127300924
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	20.59
Dipole, Da:	0.97
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations