Geometry & MOs

Info

ID:	249056
PubChem CID:	103086527
Reduced:	FIN5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	221.138894
ΔH_f, kcal/mol:	74.46
Dipole, Da:	6.34
IP(EA), eV:	-9.73(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=C(C=C(C=C2)F)I)NC

DOS

IR

Vibrations