Geometry & MOs

Info

ID:	340524
PubChem CID:	127262535
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	2.14
IP(EA), eV:	-8.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N)C(C)OC(=O)C2=CNN=C2

DOS

IR

Vibrations