Geometry & MOs

Info

ID:	64942
PubChem CID:	29204230
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	3.96
IP(EA), eV:	-9.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

DOS

IR

Vibrations