Geometry & MOs

Info

ID:	287045
PubChem CID:	104231724
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	6.53
IP(EA), eV:	-9.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-hydroxyethyl)-3-methoxyphenyl]-N-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=CC(=N2)C(=O)N)O

DOS

IR

Vibrations