Geometry & MOs

Info

ID:	371233
PubChem CID:	127344426
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	1.96
IP(EA), eV:	-8.79(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-(oxan-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations