Geometry & MOs

Info

ID:	250277
PubChem CID:	103095309
Reduced:	N7C11H17 (1)
Stoich.:	A7B11C17 (1)
Weight, g/mol:	190.096694
ΔH_f, kcal/mol:	86.45
Dipole, Da:	4.58
IP(EA), eV:	-9.43(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=N1)NC(C)C2=NC=NN2)CC

DOS

IR

Vibrations