Geometry & MOs

Info

ID:	323879
PubChem CID:	126676422
Reduced:	N9C23H29 (1)
Stoich.:	A9B23C29 (1)
Weight, g/mol:	420.274993
ΔH_f, kcal/mol:	144.37
Dipole, Da:	1.68
IP(EA), eV:	-8.37(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[3-(5,8-diazaspiro[3.5]nonan-8-yl)phenyl]methyliminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

C1CC2(C1)CN(CCN2)C3=CC=CC(=C3)CN=C/C(=C\N)/CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations