Geometry & MOs

Info

ID:	260789
PubChem CID:	103204298
Reduced:	N7C12H13 (1)
Stoich.:	A7B12C13 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	127.28
Dipole, Da:	6.64
IP(EA), eV:	-9.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-benzotriazin-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=NN=C1CCNC2=NC3=CC=CC=C3N=N2

DOS

IR

Vibrations