Geometry & MOs

Info

ID:	393552
PubChem CID:	135021021
Reduced:	PC38H46 (1)
Stoich.:	AB38C46 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	82.89
Dipole, Da:	7.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938553
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-pentyl-3-phenyl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@H](CCC=C(C)C)C/C=C/C(=C/C=C/C(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations