Geometry & MOs

Info

ID:	40606
PubChem CID:	8144407
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	7.77
IP(EA), eV:	-9.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinyl]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

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C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations