Geometry & MOs

Info

ID:	409812
PubChem CID:	135082598
Reduced:	NO5H10C15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.310680
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-benzhydryl-2,2-dimethyl-1,3-oxazolidin-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[O+]C(=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations