Geometry & MOs

Info

ID:	306351
PubChem CID:	125003884
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	410.13972
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	0.33
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=CC=C1)NC(=O)CN2CCO[C@H](C2)C3=NC=C(C=C3)NC4=NC=CC=N4

DOS

IR

Vibrations