Geometry & MOs

Info

ID:	370355
PubChem CID:	127338215
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-0.28
Dipole, Da:	7.55
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)NC(CC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations