Geometry & MOs

Info

ID:	244500
PubChem CID:	99355758
Reduced:	O2N3C26H43 (1)
Stoich.:	A2B3C26D43 (1)
Weight, g/mol:	429.335528
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	0.56
IP(EA), eV:	-8.68(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(adamantane-1-carbonyl)-N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@](C1)(CNC(=O)[C@@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)N(C)C

DOS

IR

Vibrations