Geometry & MOs

Info

ID:	340523
PubChem CID:	127262534
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	0.97
Dipole, Da:	5.88
IP(EA), eV:	-8.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-5-methylphenyl)ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC(=C2C=C1)N)OC(=O)C3=CNN=C3

DOS

IR

Vibrations