Geometry & MOs

Info

ID:

190559

PubChem CID:

78020964

Reduced:

N3O3C37H71 (1)

Stoich.:

A3B3C37D71 (1)

Weight, g/mol:

553.518243

ΔHf, kcal/mol:

-225.29

Dipole, Da:

5.23

IP(EA), eV:

 -9.2(2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4-(3-aminopropoxy)-4-[2-[2-(3-aminopropoxy)butyl]-1-methyl-5-propan-2-ylcyclopentyl]butan-2-yl]-4-methylcyclohexyl]oxypropan-1-amine

Drug info:

PubChemData

Smile

CCC(C)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C

DOS

IR

Vibrations