Geometry & MOs

Info

ID:	365811
PubChem CID:	127318542
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	6.2
IP(EA), eV:	-9.68(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CNC(=O)C3CC4CCC3O4

DOS

IR

Vibrations