Geometry & MOs

Info

ID:	174924
PubChem CID:	75832709
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	376.260017
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	4.08
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-methyl-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(C)(C)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations