Geometry & MOs

Info

ID:	124927
PubChem CID:	50904217
Reduced:	NSO5H19C24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	245.21435
ΔH_f, kcal/mol:	-95.15
Dipole, Da:	3.43
IP(EA), eV:	-9.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]prop-2-ynyl]-N-methylcyclohexanamine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5C(=O)OCC(=O)C6=CC=CS6

DOS

IR

Vibrations