Geometry & MOs

Info

ID:	382356
PubChem CID:	134973448
Reduced:	ION2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	464.219889
ΔH_f, kcal/mol:	-5.93
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764658
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

Drug info:

PubChemData

Smile

CCNC(=O)C1=C[N+](=C(C=C1)I)C

DOS

IR

Vibrations