Geometry & MOs

Info

ID:	183959
PubChem CID:	77093365
Reduced:	OF2N3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	3.22
IP(EA), eV:	-9.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]butanamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)C2=C3C(=CC(=C2)F)C=CC=N3

DOS

IR

Vibrations