Geometry & MOs

Info

ID:	360324
PubChem CID:	127300967
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	30.45
Dipole, Da:	1.93
IP(EA), eV:	-8.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CSC=C2)C(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations