Geometry & MOs

Info

ID:	210773
PubChem CID:	80853589
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	65.51
Dipole, Da:	8.7
IP(EA), eV:	-9.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=CC=C1)N2C=NC=N2)[N+](=O)[O-]

DOS

IR

Vibrations