Geometry & MOs

Info

ID:	365948
PubChem CID:	127319235
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	1.61
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)C2=CC=NC=C2)NC(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations