Geometry & MOs

Info

ID:	347656
PubChem CID:	127272522
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	6.61
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,2-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=N4)O)C

DOS

IR

Vibrations