Geometry & MOs

Info

ID:	174942
PubChem CID:	75836753
Reduced:	ON2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	273.207922
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754673
Charge, e:	1

Chem-info

IUPAC name:

butan-2-yl-[(2,5-dimethylpyrazol-3-yl)methyl]-(pyridin-4-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1CC2CN(CC[NH+]2C1)C(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations