Geometry & MOs

Info

ID:	430378
PubChem CID:	135170442
Reduced:	N2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	14.11
Dipole, Da:	3.09
IP(EA), eV:	-8.88(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenylpyrazol-3-yl) propanoate

Drug info:

PubChemData

Smile

CC1CCCN2C1=CC(=N2)C

DOS

IR

Vibrations