Geometry & MOs

Info

ID:	271288
PubChem CID:	103654061
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	248.174945
ΔH_f, kcal/mol:	61.42
Dipole, Da:	6.31
IP(EA), eV:	-8.9(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=C(N(C(=C2)C#N)C)C

DOS

IR

Vibrations