Geometry & MOs

Info

ID:

36577

PubChem CID:

8009065

Reduced:

ON3C16H24 (1)

Stoich.:

AB3C16D24 (1)

Weight, g/mol:

238.180704

ΔHf, kcal/mol:

20.4

Dipole, Da:

6.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.074048

Charge, e:

 1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCC[NH2+]CC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations