Geometry & MOs

Info

ID:	73002
PubChem CID:	48416785
Reduced:	O2N6C15H22 (1)
Stoich.:	A2B6C15D22 (1)
Weight, g/mol:	227.08071
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	7.55
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(6-methylpyridine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations