Geometry & MOs

Info

ID:	194881
PubChem CID:	78601585
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	431.245844
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	1.92
IP(EA), eV:	-8.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(2-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CN(CCC2=CNC3=CC=CC=C32)C(=O)C4CCC(=O)O4)C

DOS

IR

Vibrations