Geometry & MOs

Info

ID:	136172
PubChem CID:	51990948
Reduced:	ClNO2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	416.08613
ΔH_f, kcal/mol:	-41.24
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079346
Charge, e:	1

Chem-info

IUPAC name:

[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC(C)(CO)[NH2+]CC1=CC=CC=C1OCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations