Geometry & MOs

Info

ID:	210768
PubChem CID:	80853496
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	254.127994
ΔH_f, kcal/mol:	67.83
Dipole, Da:	3.97
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-yl)-N-ethyl-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N2C=CC=N2)C(C)C

DOS

IR

Vibrations