Geometry & MOs

Info

ID:	172493
PubChem CID:	75516235
Reduced:	OF3N3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	5.51
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1)NCC2=C(C=CC=N2)C(F)(F)F

DOS

IR

Vibrations