Geometry & MOs

Info

ID:	43683
PubChem CID:	10321643
Reduced:	O3C30H44 (1)
Stoich.:	A3B30C44 (1)
Weight, g/mol:	452.340279
ΔH_f, kcal/mol:	-114.68
Dipole, Da:	3.11
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-2-ylmethyl)-N-[(3-tetradecoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@](C[C@H]1C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(C=CC(=O)C5(C)C)C)C)(C)C(=O)O

DOS

IR

Vibrations