Geometry & MOs

Info

ID:	208105
PubChem CID:	80496349
Reduced:	N6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	248.174945
ΔH_f, kcal/mol:	87.26
Dipole, Da:	4.03
IP(EA), eV:	-9.16(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpyrazol-4-yl)-(2H-triazol-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CN(N=C1)CC)C2=NNN=C2

DOS

IR

Vibrations