Geometry & MOs

Info

ID:	304303
PubChem CID:	124509172
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	2.82
IP(EA), eV:	-9.86(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@H]2C(=O)C[C@]4([C@H]3CCC4=O)C

DOS

IR

Vibrations