Geometry & MOs

Info

ID:	441833
PubChem CID:	135245539
Reduced:	N3H37C55 (1)
Stoich.:	A3B37C55 (1)
Weight, g/mol:	310.063968
ΔH_f, kcal/mol:	261.77
Dipole, Da:	1.1
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]pyrazole

Drug info:

PubChemData

Smile

CC1CC=CC(=C1)C2=NC(=NC(=N2)C3=C(C4=CC=CC=C4C5=CC=CC=C53)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC=C1

DOS

IR

Vibrations