Geometry & MOs

Info

ID:	416485
PubChem CID:	135089500
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	9.47
Dipole, Da:	7.62
IP(EA), eV:	-9.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)C3=CC=C(C=C3)C(=O)N4C[C@H]([C@@H](C4)O)CC5=CC=NC=C5

DOS

IR

Vibrations