Geometry & MOs

Info

ID:	148306
PubChem CID:	53787968
Reduced:	NO5C26H45 (1)
Stoich.:	AB5C26D45 (1)
Weight, g/mol:	377.094934
ΔH_f, kcal/mol:	-263.59
Dipole, Da:	3.05
IP(EA), eV:	-10.31(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(2,4-dichlorophenyl)-1-phenylethoxy]oxan-2-ylidene]methanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(C[C@@H]1[C@H](C(=O)O1)CC=C)OC(=O)[C@H](CC(C)C)NC=O

DOS

IR

Vibrations