Geometry & MOs

Info

ID:	326527
PubChem CID:	126687722
Reduced:	IN3C6H10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	543.223258
ΔH_f, kcal/mol:	46.88
Dipole, Da:	2.19
IP(EA), eV:	-8.58(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[6-[[(1R)-4-(1-oxa-8-azaspiro[4.5]decan-8-ylmethyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetate

Drug info:

PubChemData

Smile

C1CN(CC(=N1)/C=C\N)I

DOS

IR

Vibrations