Geometry & MOs

Info

ID:	416313
PubChem CID:	135089326
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-148.44
Dipole, Da:	5.78
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations