Geometry & MOs

Info

ID:	188086
PubChem CID:	77667425
Reduced:	OF2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	565.12123
ΔH_f, kcal/mol:	74.86
Dipole, Da:	3.83
IP(EA), eV:	-9.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[2-[4-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]acetyl]pyrrolidin-1-yl]methoxy]benzoic acid

Drug info:

PubChemData

Smile

C1CC2CCC1C2(CN3C=NC=N3)C4=CC=CC=C4.O(F)F

DOS

IR

Vibrations