Geometry & MOs

Info

ID:	196087
PubChem CID:	78777469
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	1.8
IP(EA), eV:	-9.05(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations