Geometry & MOs

Info

ID:	255586
PubChem CID:	103133154
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	4.18
Dipole, Da:	4.17
IP(EA), eV:	-9.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)CCCCN

DOS

IR

Vibrations