Geometry & MOs

Info

ID:	166804
PubChem CID:	74735577
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	482.313115
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	6.25
IP(EA), eV:	-8.5(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-cyclohexyl-3-[[5-[5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)NCC1CC2CCN1CC2C3=CC(=NN3C)C4=CC=CO4

DOS

IR

Vibrations