Geometry & MOs

Info

ID:	399496
PubChem CID:	135040576
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	3.07
IP(EA), eV:	-9.16(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-methylamino(phenyl)methyl]bicyclo[2.2.1]hept-5-en-2-ol

Drug info:

PubChemData

Smile

C=CC[C@H]1C=CNC(=O)[C@@H]1CC=C

DOS

IR

Vibrations