Geometry & MOs

Info

ID:	287052
PubChem CID:	104231731
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	6.49
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C=C(C=N2)C(=O)N)O

DOS

IR

Vibrations