Geometry & MOs

Info

ID:	347639
PubChem CID:	127272505
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-201.53
Dipole, Da:	7.19
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,2-dimethyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC4(CC3)C(=O)NC(=O)N4)O)C

DOS

IR

Vibrations