Geometry & MOs

Info

ID:	128035
PubChem CID:	51028120
Reduced:	NOC8H16 (1)
Stoich.:	ABC8D16 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	1.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754274
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4R)-3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1[C@H]([C@@H]2[NH3+])CO

DOS

IR

Vibrations