Geometry & MOs

Info

ID:	307495
PubChem CID:	125307144
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-107.15
Dipole, Da:	3.12
IP(EA), eV:	-8.64(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](CO)NC(=O)C1=NN=C(C1)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations