Geometry & MOs

Info

ID:	174956
PubChem CID:	75837830
Reduced:	ON5C31H33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	350.244367
ΔH_f, kcal/mol:	80.65
Dipole, Da:	4.82
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)CCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=C(N=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations