Geometry & MOs

Info

ID:	417059
PubChem CID:	135091237
Reduced:	NO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	4.71
IP(EA), eV:	-8.72(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CC(=O)N2CCC[C@]3(C2)CCC[C@H]3OC)C

DOS

IR

Vibrations