Geometry & MOs

Info

ID:	287051
PubChem CID:	104231730
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	6.48
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations