Geometry & MOs

Info

ID:	73013
PubChem CID:	48416802
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	359.149458
ΔH_f, kcal/mol:	-3.52
Dipole, Da:	4.97
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)CCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations