Geometry & MOs

Info

ID:	156102
PubChem CID:	56369129
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	433.13649
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	2.16
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N4CCN(CC4)CCC5=CC=CS5

DOS

IR

Vibrations