Geometry & MOs

Info

ID:	185592
PubChem CID:	77318249
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	356.165541
ΔH_f, kcal/mol:	-205.58
Dipole, Da:	4.23
IP(EA), eV:	-9.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)C(C(S2)(C)C3CCOC3)C(=O)O)O

DOS

IR

Vibrations