Geometry & MOs

Info

ID:	73167
PubChem CID:	48417137
Reduced:	O3N5C14H15 (1)
Stoich.:	A3B5C14D15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	4.37
IP(EA), eV:	-9.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)N2C(=C(C=N2)C#N)N)C)C(=O)OC

DOS

IR

Vibrations