Geometry & MOs

Info

ID:	324148
PubChem CID:	126677030
Reduced:	ON7H17C20 (1)
Stoich.:	AB7C17D20 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	140.6
Dipole, Da:	6.57
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[(7-methoxynaphthalen-1-yl)iminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC=C2N3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N)C=C1

DOS

IR

Vibrations