Geometry & MOs

Info

ID:	70845
PubChem CID:	48413944
Reduced:	FO2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	1.97
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F

DOS

IR

Vibrations