Geometry & MOs

Info

ID:	161361
PubChem CID:	57391447
Reduced:	OSN9H17C19 (1)
Stoich.:	ABC9D17E19 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	124.35
Dipole, Da:	4.35
IP(EA), eV:	-7.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[6-(2-methoxyethylamino)pyridin-2-yl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine

Drug info:

PubChemData

Smile

CNC1=C2C(=C3C=C(NC3=N1)C4=CC=CC(=N4)CNC(=O)C5=CSN=N5)N(C=N2)C

DOS

IR

Vibrations