Geometry & MOs

Info

ID:	347641
PubChem CID:	127272507
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	8.52
IP(EA), eV:	-8.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCNC4=O)O)C

DOS

IR

Vibrations