Geometry & MOs

Info

ID:	255751
PubChem CID:	103134526
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	7.22
Dipole, Da:	4.59
IP(EA), eV:	-8.94(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethylpyridazin-4-yl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC(C(C1=NN(C=C1)C)N)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations