Geometry & MOs

Info

ID:	70956
PubChem CID:	48414097
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	4.15
IP(EA), eV:	-9.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations