Geometry & MOs

Info

ID:	355899
PubChem CID:	127290751
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.82)
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-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)N3CCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations