Geometry & MOs

Info

ID:	133494
PubChem CID:	51535712
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	448.17918
ΔH_f, kcal/mol:	5.32
Dipole, Da:	7.46
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[(6-chloro-2H-chromen-3-yl)methyl]-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1-methyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-4-ium

Drug info:

PubChemData

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CC[C@H](C(=O)NC1=NOC(=C1)C)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations