Geometry & MOs

Info

ID:	424836
PubChem CID:	135124145
Reduced:	FN4O5H33C34 (1)
Stoich.:	AB4C5D33E34 (1)
Weight, g/mol:	510.263091
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	4.04
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(1-cyclohexylethoxy)phenyl]phenyl]-2-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4CCN(CC4)C(=O)O)C5=CC=NN5C6=CC=CC=C6F)C7(C2=O)CCC7

DOS

IR

Vibrations