Geometry & MOs

Info

ID:	347653
PubChem CID:	127272519
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	8.37
IP(EA), eV:	-8.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4CCN(CC4)C)O)C

DOS

IR

Vibrations