Geometry & MOs

Info

ID:	360185
PubChem CID:	127300828
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	6.49
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]ethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations