Geometry & MOs

Info

ID:	357941
PubChem CID:	127295441
Reduced:	ON2C11H20 (2)
Stoich.:	AB2C11D20 (2)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-130.44
Dipole, Da:	7.21
IP(EA), eV:	-8.55(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(C)C(=O)N3CCCCCC3

DOS

IR

Vibrations