Geometry & MOs

Info

ID:	51009
PubChem CID:	12013621
Reduced:	FNC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	2.96
IP(EA), eV:	-8.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-7-(2-methylphenyl)-7-azabicyclo[4.1.0]heptane

Drug info:

PubChemData

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C1CC[C@H]2[C@@H](C1)N2C3=CC=CC=C3F

DOS

IR

Vibrations