Geometry & MOs

Info

ID:	418859
PubChem CID:	135106970
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	3.56
IP(EA), eV:	-9.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[2-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-oxoethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CCCC3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations