Geometry & MOs

Info

ID:	323656
PubChem CID:	126675663
Reduced:	ON7C17H17 (1)
Stoich.:	AB7C17D17 (1)
Weight, g/mol:	293.115571
ΔH_f, kcal/mol:	109.09
Dipole, Da:	5.31
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(N,2-diamino-4-chloroanilino)methyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N)CO

DOS

IR

Vibrations