Geometry & MOs

Info

ID:	275824
PubChem CID:	103818159
Reduced:	FN5H14C15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	283.154544
ΔH_f, kcal/mol:	75.2
Dipole, Da:	9.02
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CNC2=CC(=CC=C2)N3C=NN=N3

DOS

IR

Vibrations