Geometry & MOs

Info

ID:	263684
PubChem CID:	103389074
Reduced:	N3O3C17H35 (1)
Stoich.:	A3B3C17D35 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-177.23
Dipole, Da:	3.5
IP(EA), eV:	-8.74(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-N-[1-(3-nitrophenyl)ethyl]pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC(COC)NCC1CCN(C1)C

DOS

IR

Vibrations