Geometry & MOs

Info

ID:	366048
PubChem CID:	127319364
Reduced:	FN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-161.78
Dipole, Da:	7.24
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-1,4-diazepan-1-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)NC2=C(C=CC(=C2)F)OCC3CCCO3

DOS

IR

Vibrations