Geometry & MOs

Info

ID:	124434
PubChem CID:	50883195
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	7.75
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-2-methoxy-3-nitrophenyl)-(4-ethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=C(C(=CC(=C2)C)[N+](=O)[O-])OC

DOS

IR

Vibrations