Geometry & MOs

Info

ID:	73227
PubChem CID:	48417235
Reduced:	O2N7H13C15 (1)
Stoich.:	A2B7C13D15 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	61.26
Dipole, Da:	3.01
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-hexanoylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(N(N=C1C(=O)N2C(=C(C=N2)C#N)N)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations