Geometry & MOs

Info

ID:	415122
PubChem CID:	135088108
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-161.5
Dipole, Da:	6.77
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one

Drug info:

PubChemData

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CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=CC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations