Geometry & MOs

Info

ID:	59160
PubChem CID:	24771370
Reduced:	SN10O14C44H72 (1)
Stoich.:	AB10C14D44E72 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-672.56
Dipole, Da:	6.32
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations