Geometry & MOs

Info

ID:	370352
PubChem CID:	127338191
Reduced:	SN5O5C15H27 (1)
Stoich.:	AB5C5D15E27 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-220.99
Dipole, Da:	12.0
IP(EA), eV:	-9.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations