Geometry & MOs

Info

ID:	73350
PubChem CID:	48417489
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	41.83
Dipole, Da:	4.6
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2-methylpropoxy)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(O2)CCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations