Geometry & MOs

Info

ID:	133292
PubChem CID:	51504851
Reduced:	NO4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	312.159969
ΔH_f, kcal/mol:	-67.72
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.199733
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)cyclopropyl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1C[NH2+]C3(CC3)C4=CC=C(C=C4)OC)OCO2

DOS

IR

Vibrations