Geometry & MOs

Info

ID:	287049
PubChem CID:	104231728
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	4.22
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations