Geometry & MOs

Info

ID:	131167
PubChem CID:	51168327
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	376.211055
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	4.58
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations