Geometry & MOs

Info

ID:	75028
PubChem CID:	48422877
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	2.87
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)C1=CC=C(C=C1)C(C)(C)C)OCC2CC2

DOS

IR

Vibrations