Geometry & MOs

Info

ID:	366534
PubChem CID:	127320050
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	3.46
IP(EA), eV:	-8.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations