Geometry & MOs

Info

ID:	414563
PubChem CID:	135087522
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	5.61
IP(EA), eV:	-9.16(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]azepan-2-one

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2CC3=CC=NC=C3)(CC4=CC=CC=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations