Geometry & MOs

Info

ID:	183578
PubChem CID:	77042513
Reduced:	ON7C11H17 (1)
Stoich.:	AB7C11D17 (1)
Weight, g/mol:	277.165108
ΔH_f, kcal/mol:	112.01
Dipole, Da:	9.36
IP(EA), eV:	-7.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nitroso-[2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1H-1,2,4-triazol-5-ylidene]methanamine

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CN2C=NC(=C(N)N=O)N2

DOS

IR

Vibrations