Geometry & MOs

Info

ID:	163078
PubChem CID:	57588044
Reduced:	ClN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	558.276154
ΔH_f, kcal/mol:	36.53
Dipole, Da:	2.79
IP(EA), eV:	-8.99(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-chlorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CCN(C)C1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)N

DOS

IR

Vibrations