Geometry & MOs

Info

ID:	45976
PubChem CID:	10519954
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	323.142248
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	2.54
IP(EA), eV:	-9.29(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-3H-phenanthro[9,10-e][1,2,4]triazine

Drug info:

PubChemData

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C[C@H](C[C@@H](C)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations