Geometry & MOs

Info

ID:	265995
PubChem CID:	103557534
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	4.94
IP(EA), eV:	-8.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxycyclobutyl)-1-(1-phenylpyrazol-4-yl)ethanol

Drug info:

PubChemData

Smile

CN1C(=O)CC2=C1C=CC(=C2)C(CC3(CCC3)OC)O

DOS

IR

Vibrations