Geometry & MOs

Info

ID:	420445
PubChem CID:	135113183
Reduced:	O5N6C28H40 (1)
Stoich.:	A5B6C28D40 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-182.39
Dipole, Da:	8.17
IP(EA), eV:	-9.05(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CCCN3C=CC=N3

DOS

IR

Vibrations