Geometry & MOs

Info

ID:	419247
PubChem CID:	135107822
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	3.79
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(CCO)CC3=CN=C(N3)C

DOS

IR

Vibrations