Geometry & MOs

Info

ID:	366893
PubChem CID:	127321802
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	10.45
Dipole, Da:	4.8
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-azaspiro[5.5]undec-9-en-2-yl)-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCCC4(C3)CCC=CC4)C

DOS

IR

Vibrations