Geometry & MOs

Info

ID:	167208
PubChem CID:	74793229
Reduced:	O3N4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	430.283158
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986674
Charge, e:	2

Chem-info

IUPAC name:

benzyl-[2-hydroxy-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]propyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C(=O)N2CCC(CC2)CCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

DOS

IR

Vibrations