Geometry & MOs

Info

ID:	150770
PubChem CID:	53790466
Reduced:	N4O5C31H40 (1)
Stoich.:	A4B5C31D40 (1)
Weight, g/mol:	446.116398
ΔH_f, kcal/mol:	-183.35
Dipole, Da:	8.19
IP(EA), eV:	-8.29(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(2R,6R)-6-(2,4-dichlorophenoxy)oxan-2-yl]methoxy]-2-phenylethyl]imidazole

Drug info:

PubChemData

Smile

CCCCN(CCN)C(=O)CN1C[C@@H](C([C@@H]1CCN2C(=O)CC3=CC=CC=C32)C(=O)O)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations