Geometry & MOs

Info

ID:	218823
PubChem CID:	85090032
Reduced:	N2O3C32H54 (1)
Stoich.:	A2B3C32D54 (1)
Weight, g/mol:	514.137001
ΔH_f, kcal/mol:	-102.57
Dipole, Da:	42.85
IP(EA), eV:	-4.95(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[6-chloro-2,2-dimethyl-4-(trifluoromethyl)chromen-7-yl]oxyethoxy]phenoxy]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)[O-])N5CCCCC5)C)C)[N+]6(CCCCC6)C

DOS

IR

Vibrations