Geometry & MOs

Info

ID:	71603
PubChem CID:	48415097
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	2.84
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-2-phenylphthalazin-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations