Geometry & MOs

Info

ID:	71084
PubChem CID:	48414265
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	55.91
Dipole, Da:	4.67
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyloxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4

DOS

IR

Vibrations