Geometry & MOs

Info

ID:	22928
PubChem CID:	599979
Reduced:	N9C18H23 (1)
Stoich.:	A9B18C23 (1)
Weight, g/mol:	365.207642
ΔH_f, kcal/mol:	135.22
Dipole, Da:	5.33
IP(EA), eV:	-8.26(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[5-(3-anilino-1H-1,2,4-triazol-5-yl)pentyl-methylamino]-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN(CCCCCC1=NC(=NN1)NC2=CC=CC=C2)C3=NNC(=C3C#N)N

DOS

IR

Vibrations