Geometry & MOs

Info

ID:	136167
PubChem CID:	51988962
Reduced:	NOC23H26 (1)
Stoich.:	ABC23D26 (1)
Weight, g/mol:	306.102759
ΔH_f, kcal/mol:	34.23
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.075669
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dichloro-4-propan-2-yloxyphenyl)methyl-(3-methoxypropyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3C

DOS

IR

Vibrations