Geometry & MOs

Info

ID:	358216
PubChem CID:	127295761
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-110.82
Dipole, Da:	4.9
IP(EA), eV:	-8.93(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(oxan-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3CCOCC3

DOS

IR

Vibrations