Geometry & MOs

Info

ID:	203859
PubChem CID:	79883607
Reduced:	FO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	3.23
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxyphenyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1)C(=O)C2=C(C=CC(=C2)F)O

DOS

IR

Vibrations