Geometry & MOs

Info

ID:	174204
PubChem CID:	75739692
Reduced:	ClN3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	358.10178
ΔH_f, kcal/mol:	34.39
Dipole, Da:	1.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770634
Charge, e:	1

Chem-info

IUPAC name:

(5-bromo-2-methoxyphenyl)methyl-[3-(oxolan-2-ylmethoxy)propyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)C(C[N+]1=CNC=C1)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations