Geometry & MOs

Info

ID:	272296
PubChem CID:	103738069
Reduced:	ClO3N5H8C12 (1)
Stoich.:	AB3C5D8E12 (1)
Weight, g/mol:	269.235479
ΔH_f, kcal/mol:	59.25
Dipole, Da:	5.9
IP(EA), eV:	-9.39(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cycloheptyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-])C#N

DOS

IR

Vibrations