Geometry & MOs

Info

ID:	355885
PubChem CID:	127290737
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	3.95
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations