Geometry & MOs

Info

ID:	156035
PubChem CID:	56368853
Reduced:	BrO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	459.07692
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	3.84
IP(EA), eV:	-9.03(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1CCN(CC1)C(=O)C2=CC(=CN2CC)Br

DOS

IR

Vibrations