Geometry & MOs

Info

ID:	335727
PubChem CID:	127254589
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	363.104148
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	8.19
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-thiophen-3-yl-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)NCC1=CC2=C(C=C1)OCO2)N3C=NN=N3

DOS

IR

Vibrations