Geometry & MOs

Info

ID:	255584
PubChem CID:	103133150
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	5.24
IP(EA), eV:	-9.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)COC2CCNCC2

DOS

IR

Vibrations