Geometry & MOs

Info

ID:	432183
PubChem CID:	135172315
Reduced:	N4C7H7 (2)
Stoich.:	A4B7C7 (2)
Weight, g/mol:	148.074896
ΔH_f, kcal/mol:	171.83
Dipole, Da:	6.6
IP(EA), eV:	-10.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2N=C1)CC(C)C3=NC4=NC=NN4C=C3

DOS

IR

Vibrations