Geometry & MOs

Info

ID:	222349
PubChem CID:	85297139
Reduced:	PO4N5C17H28 (1)
Stoich.:	AB4C5D17E28 (1)
Weight, g/mol:	405.218305
ΔH_f, kcal/mol:	-198.64
Dipole, Da:	5.97
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)-3-phenylaziridin-1-yl]-2-(1-hydroxy-2,2-dimethylpropyl)-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)OP(=O)(COC1CCC(C1)N2C=NC3=C(N=CN=C32)N)OC(C)C

DOS

IR

Vibrations