Geometry & MOs

Info

ID:	73305
PubChem CID:	48417400
Reduced:	O2N5H11C14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	51.75
Dipole, Da:	5.49
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(cyclohex-3-ene-1-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations