Geometry & MOs

Info

ID:	287048
PubChem CID:	104231727
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	7.52
IP(EA), eV:	-9.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations