Geometry & MOs

Info

ID:	71141
PubChem CID:	48414351
Reduced:	F2N2O3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-180.49
Dipole, Da:	3.6
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations