Geometry & MOs

Info

ID:	306140
PubChem CID:	125001728
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-88.61
Dipole, Da:	2.36
IP(EA), eV:	-8.8(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2=CN=C(O2)[C@H]3CCCN(C3)C(=O)CN4CCCCCC4

DOS

IR

Vibrations