Geometry & MOs

Info

ID:	165592
PubChem CID:	74573698
Reduced:	N4C16H25 (1)
Stoich.:	A4B16C25 (1)
Weight, g/mol:	245.176622
ΔH_f, kcal/mol:	76.84
Dipole, Da:	4.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888747
Charge, e:	1

Chem-info

IUPAC name:

1-(1-ethyl-5-methylpyrazol-4-yl)ethyl-(pyridin-4-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)[NH2+]CC2=CC=C(C=C2)N(C)C)C

DOS

IR

Vibrations