Geometry & MOs

Info

ID:	272275
PubChem CID:	103737364
Reduced:	NOSBr2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	3.76
IP(EA), eV:	-9.67(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylcyclobutyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC1)CNC(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations