Geometry & MOs

Info

ID:	126880
PubChem CID:	50982939
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-13.11
Dipole, Da:	6.4
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-9-[(6-methyl-4-oxochromen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)CN2CCN3C(=CC(=N3)C(=O)N4CCCC4)C2

DOS

IR

Vibrations