Geometry & MOs

Info

ID:	163071
PubChem CID:	57588036
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	447.171355
ΔH_f, kcal/mol:	-1.8
Dipole, Da:	2.29
IP(EA), eV:	-9.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)(C(C2=CC=C(C=C2)Cl)N)O

DOS

IR

Vibrations