Geometry & MOs

Info

ID:	293023
PubChem CID:	117370512
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	4.43
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-1H-pyrazol-5-yl)-2-methoxy-5-propan-2-ylphenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CCCC2)CN=C=O

DOS

IR

Vibrations