Geometry & MOs

Info

ID:	264125
PubChem CID:	103430588
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	413.88601
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	2.55
IP(EA), eV:	-9.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dibromothiophen-3-yl)-5,8-dimethyl-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CNC(=O)C(C)(C)O

DOS

IR

Vibrations