Geometry & MOs

Info

ID:	415625
PubChem CID:	135088624
Reduced:	FN3O5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-174.15
Dipole, Da:	3.18
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NC(CO)CO)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations