Geometry & MOs

Info

ID:	336051
PubChem CID:	127255058
Reduced:	SO2N7C11H17 (1)
Stoich.:	AB2C7D11E17 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	41.53
Dipole, Da:	4.78
IP(EA), eV:	-9.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)NC1=NN=C(S1)COC)N2C=NN=N2

DOS

IR

Vibrations