Geometry & MOs

Info

ID:	329680
PubChem CID:	126920626
Reduced:	N9C13H17 (1)
Stoich.:	A9B13C17 (1)
Weight, g/mol:	353.207642
ΔH_f, kcal/mol:	176.1
Dipole, Da:	6.06
IP(EA), eV:	-9.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

Drug info:

PubChemData

Smile

CN(CCN1C=NC=N1)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations