Geometry & MOs

Info

ID:	221867
PubChem CID:	85291472
Reduced:	NC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-10.02
Dipole, Da:	1.21
IP(EA), eV:	-8.57(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl)pentan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NC3CCCCC3CN2C(C)C

DOS

IR

Vibrations