Geometry & MOs

Info

ID:	127743
PubChem CID:	51013358
Reduced:	N2C23H38 (1)
Stoich.:	A2B23C38 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	80.52
Dipole, Da:	9.95
IP(EA), eV:	-3.8(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,3S,6R)-1,2-dimethyl-8-tetracyclo[4.4.0.02,10.03,7]dec-8-enyl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

DOS

IR

Vibrations