Geometry & MOs

Info

ID:	366529
PubChem CID:	127320045
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	366.263091
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	6.05
IP(EA), eV:	-9.09(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN=C2)C(=O)N3CCN(CC3)C(=O)CN4CCOCC4

DOS

IR

Vibrations