Geometry & MOs

Info

ID:	156093
PubChem CID:	56369113
Reduced:	BrClN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	404.10994
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	5.35
IP(EA), eV:	-8.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-ethylpyrrol-2-yl)-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(CC2)C(=O)C3=C(N=CC(=C3)Br)Cl)C

DOS

IR

Vibrations