Geometry & MOs

Info

ID:	223999
PubChem CID:	85336760
Reduced:	O3N7C22H35 (1)
Stoich.:	A3B7C22D35 (1)
Weight, g/mol:	444.253669
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	3.99
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(aminomethyl)-3-benzylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=NC3=C2CCN(C3)C4NC5CC(C(CC5C(=O)N4)OC)OC

DOS

IR

Vibrations