Geometry & MOs

Info

ID:	306139
PubChem CID:	125001724
Reduced:	O3N6C14H18 (1)
Stoich.:	A3B6C14D18 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	7.31
IP(EA), eV:	-9.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)N2CCC[C@H](C2)C3=CC=NC(=O)N3)OC

DOS

IR

Vibrations