Geometry & MOs

Info

ID:	41899
PubChem CID:	8147703
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	398.182829
ΔH_f, kcal/mol:	-81.74
Dipole, Da:	2.49
IP(EA), eV:	-8.75(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)CC3(C2=O)CCCC3

DOS

IR

Vibrations