Geometry & MOs

Info

ID:	70671
PubChem CID:	48413698
Reduced:	FN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	407.08445
ΔH_f, kcal/mol:	-165.68
Dipole, Da:	3.47
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations