Geometry & MOs

Info

ID:	156026
PubChem CID:	56368821
Reduced:	N3O4C27H29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	437.05057
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	6.61
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)C4=C(C5=CC=CC=C5C=C4)O

DOS

IR

Vibrations