Geometry & MOs

Info

ID:	278079
PubChem CID:	103833204
Reduced:	N2O2C13H28 (1)
Stoich.:	A2B2C13D28 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	3.18
IP(EA), eV:	-9.6(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NCC(CC(C)(C)C)O)N

DOS

IR

Vibrations