Geometry & MOs

Info

ID:	46544
PubChem CID:	10525097
Reduced:	NO3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	401.255456
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	2.19
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-[2-(dimethylamino)ethyl]-1-benzofuran-5-yl]pyridin-3-yl]-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations