Geometry & MOs

Info

ID:	156332
PubChem CID:	56370129
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	408.02402
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	2.84
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(4-phenyloxan-4-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O)C

DOS

IR

Vibrations