Geometry & MOs

Info

ID:	403055
PubChem CID:	135058540
Reduced:	BN2C32H33 (1)
Stoich.:	AB2C32D33 (1)
Weight, g/mol:	371.152144
ΔH_f, kcal/mol:	43.96
Dipole, Da:	5.9
IP(EA), eV:	-8.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

[B@@H-]1(C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)N4C1=[N+](C5=CC=CC=C54)C)C6=C(C=C(C=C6C)C)C

DOS

IR

Vibrations