Geometry & MOs

Info

ID:	273905
PubChem CID:	103805768
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-10.07
Dipole, Da:	2.55
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[(1R,2R)-2-aminocyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)C2=NC=CC3=CC=CC=C32

DOS

IR

Vibrations