Geometry & MOs

Info

ID:	201539
PubChem CID:	79553201
Reduced:	N3C15H25 (1)
Stoich.:	A3B15C25 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	17.49
Dipole, Da:	4.22
IP(EA), eV:	-8.8(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(oxolan-2-yl)acetyl]azepan-2-yl]propan-2-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)C2CCCCN2)NN3C=CC=C3

DOS

IR

Vibrations