Geometry & MOs

Info

ID:	243454
PubChem CID:	99223913
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-36.48
Dipole, Da:	8.75
IP(EA), eV:	-8.54(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations