Geometry & MOs

Info

ID:	336175
PubChem CID:	127255182
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	18.35
Dipole, Da:	7.72
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-8-cyclohexyl-11-methyl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)NCCN1C=NC2=CC=CC=C2C1=O)N3C=NN=N3

DOS

IR

Vibrations