Geometry & MOs

Info

ID:	73406
PubChem CID:	48417633
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	94.77
Dipole, Da:	7.56
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-cyclopentyloxyacetyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N(N=C2C(=O)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4

DOS

IR

Vibrations