Geometry & MOs

Info

ID:	284272
PubChem CID:	104039146
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	46.8
Dipole, Da:	3.61
IP(EA), eV:	-8.86(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=CC(=NC=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations