Geometry & MOs

Info

ID:	151601
PubChem CID:	55161606
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	4.21
IP(EA), eV:	-9.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-methylphthalazin-1-yl)butan-2-amine

Drug info:

PubChemData

Smile

CCCNS(=O)(=O)C1=CC=CC=C1C(C)C(=O)C

DOS

IR

Vibrations