Geometry & MOs

Info

ID:	323615
PubChem CID:	126675584
Reduced:	N4O5C28H28 (1)
Stoich.:	A4B5C28D28 (1)
Weight, g/mol:	310.190595
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	4.25
IP(EA), eV:	-9.76(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[(2-methylphenyl)methyliminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CN=C(C=C5)C6(COC6)O

DOS

IR

Vibrations