Geometry & MOs

Info

ID:	223954
PubChem CID:	85336268
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	392.258754
ΔH_f, kcal/mol:	53.14
Dipole, Da:	2.3
IP(EA), eV:	-8.62(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[7a-(aminomethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-1-cyclopropyl-6-fluoro-8-methyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C(=O)NN=CC4=CC=C(C=C4)N(O)O

DOS

IR

Vibrations