Geometry & MOs

Info

ID:	174943
PubChem CID:	75836934
Reduced:	N4C16H25 (1)
Stoich.:	A4B16C25 (1)
Weight, g/mol:	308.152965
ΔH_f, kcal/mol:	65.05
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.898741
Charge, e:	1

Chem-info

IUPAC name:

(4-butan-2-yloxy-3-chlorophenyl)methyl-[2-(1H-imidazol-5-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CCC(C)[NH+](CC1=CC=NC=C1)CC2=CC(=NN2C)C

DOS

IR

Vibrations