Geometry & MOs

Info

ID:	135880
PubChem CID:	51952335
Reduced:	ON3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	469.096484
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754609
Charge, e:	1

Chem-info

IUPAC name:

[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methyl-[[6-(2-methoxyethoxy)pyridin-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)C1(CCCC1)CNC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations