Geometry & MOs

Info

ID:	165591
PubChem CID:	74573673
Reduced:	N4C12H17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	273.207922
ΔH_f, kcal/mol:	89.21
Dipole, Da:	2.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755260
Charge, e:	1

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]methyl-[1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C1=NN(C=C1)C)[NH2+]CC2=CC=CC=N2

DOS

IR

Vibrations