Geometry & MOs

Info

ID:	75992
PubChem CID:	48424272
Reduced:	F2N2O2C19H26 (1)
Stoich.:	A2B2C2D19E26 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-158.54
Dipole, Da:	4.3
IP(EA), eV:	-9.19(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[3-(2-pyrazol-1-ylethoxy)anilino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)CC2=CC(=C(C=C2)F)F)OCC3CC3

DOS

IR

Vibrations