Geometry & MOs

Info

ID:	188473
PubChem CID:	77722134
Reduced:	O4N5C25H37 (1)
Stoich.:	A4B5C25D37 (1)
Weight, g/mol:	189.088869
ΔH_f, kcal/mol:	-161.29
Dipole, Da:	5.92
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-aminopyridin-3-yl)triazin-2-ium-2-amine

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=CC(=C1)CC(=O)NCCN(C)C)NCC(C2=CC(=C(C=C2)O)NC(=O)N)O

DOS

IR

Vibrations